0 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.2 C=CC=CCCC=C(C)C CNP0185816.0 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,0,0,0,0,0|0,0,4]=4 8 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,0,0,0,0|0,0,4]=4 10 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,0,0,0,0|0,0,4]=4 11 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,0,0,0,0|0,0,2]=2 12 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,0,0,0,0|1,0,2]=3 15 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,0,0,0,0,0|1,0,3]=4 22 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,0,0,0,0,0|0,0,4]=4 23 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,0,0,0,0,0|0,0,4]=4 24 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.2 C[S@+]([O-])CCCCCC#N CNP0534941.2 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.2 C[S@@+]([O-])CCCCCC#N CNP0534941.1 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,0,0,0,0|0,0,3]=4 32 B8R0.4 C=CCCCCCC=C CNP0320273.0 [1,0,0,0,0,0|0,0,1]=2 33 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,0,0,0,0,0|0,0,0]=1 34 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,0,0,0,0|0,0,1]=2 35 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,0,0,0,0|0,0,2]=3 36 B8R0.4 C=CCCCCN=C=S CNP0002692.0 [1,0,0,0,0,0|1,1,1]=4 37 B8R0.4 C=CCCCN=CC=S CNP0418197.0 [1,0,0,0,0,0|1,1,1]=4 38 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,0,0,0,0|0,0,2]=3 39 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|0,0,3]=4 40 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,0,0,0,0|1,0,2]=4 42 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|0,0,2]=3 44 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,0,0,0,0|0,0,3]=4 45 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|1,0,2]=4 51 B8R0.4 CSCCCCCC#N CNP0267304.0 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,0,0,0,0|0,0,3]=4 53 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,0,0,0,0,0|0,0,2]=3 54 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,0,0,0,0,0|0,0,0]=1 55 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [1,0,0,0,0,0|0,0,2]=3 56 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.7 C=CCSSCC(=O)N CNP0415919.0 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,0,0,0,0|0,0,2]=3 64 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,0,0,0,0|1,0,2]=4 65 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,0,0,0,0|0,0,3]=4 66 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,0,0,0,0|0,0,3]=4 67 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,0,0,0,0|1,0,2]=4 68 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,0,0,0,0|0,0,3]=4 69 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|0,0,1]=2 70 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|1,0,1]=3 71 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|1,0,1]=3 72 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|1,0,1]=3 73 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,0,0,0,0,0|1,0,2]=4 74 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,0,0,0,0,0|1,0,2]=4 75 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,0,0,0,0|0,0,3]=4 76 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,0,0,0,0,0|1,0,2]=4 77 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,0,0,0,0|0,0,3]=4 78 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,0,0,0,0|2,0,0]=3 86 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,0,0,0,0,0|3,0,0]=4 87 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,0,0,0,0|2,0,0]=3 88 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,0,0,0,0|2,0,0]=3 89 B10R0.3 C=C(C)CCC[C@@H](C)CC=O CNP0306667.1 [0,1,0,0,0,0|2,0,0]=3 90 B10R0.3 C=C(C)CCC[C@@H](C)CCBr CNP0070713.1 [0,1,0,0,0,0|2,0,1]=4 91 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [0,1,0,0,0,0|2,0,1]=4 92 B10R0.3 C=C(C)CCC[C@H](C)CC=O CNP0306667.2 [0,1,0,0,0,0|2,0,0]=3 93 B10R0.3 C=C(C)CCC[C@H](C)CCBr CNP0070713.2 [0,1,0,0,0,0|2,0,1]=4 94 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.3 C=CCC(C)CCC=C(C)C CNP0086074.0 [0,1,0,0,0,0|1,0,1]=3 96 B10R0.3 CC(=CCC[C@@H](C)CC=O)C CNP0348470.1 [0,1,0,0,0,0|2,0,1]=4 97 B10R0.3 CC(=CCC[C@H](C)CC=O)C CNP0348470.2 [0,1,0,0,0,0|2,0,1]=4 98 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,0,0,0,0|1,0,2]=4 99 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,1,0,0,0,0|1,0,2]=4 100 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,1,0,0,0,0|1,0,2]=4 101 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,1,0,0,0,0|0,0,3]=4 102 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,1,0,0,0,0|0,0,0]=1 103 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,1,0,0,0,0|1,0,0]=2 104 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|0,0,2]=3 105 B10R0.4 CC(C)CCCCCCC=O CNP0143553.0 [0,1,0,0,0,0|1,0,2]=4 106 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,1,0,0,0,0|1,0,0]=2 107 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,0,0,0,0|1,0,0]=2 108 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,0,0,0,0|0,0,3]=4 109 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|0,0,3]=4 110 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,0,0,0,0|0,0,2]=3 111 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,0,0,0,0|1,0,2]=4 112 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,0,0,0,0|1,0,2]=4 113 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,0,0,0,0|1,0,2]=4 114 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,0,0,0,0|0,0,2]=3 115 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,0,0,0,0|1,0,2]=4 120 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,1,0,0,0,0|1,0,2]=4 122 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,1,0,0,0,0|1,0,2]=4 123 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,0|1,0,2]=4 124 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,1,0,0,0,0|1,0,2]=4 125 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,1,0,0,0,0|2,0,1]=4 126 B10R0.55 C=CC(=O)CCCOC(=O)C CNP0357217.0 [0,1,0,0,0,0|1,0,1]=3 127 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [0,1,0,0,0,0|1,0,0]=2 128 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,0,0,0,0|1,0,2]=4 129 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,1,0,0,0,0|1,0,2]=4 130 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,0,0,0,0|0,0,3]=4 131 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,1,0,0,0,0|0,0,2]=3 132 B10R0.74 C=CCCCCCC(C)CC CNP0564356.0 [0,1,0,0,0,0|1,0,1]=3 133 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,0,0,0,0|0,0,3]=4 134 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|0,0,2]=3 135 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,0,0,0,0|0,0,2]=3 136 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,0,0,0,0|1,0,2]=4 137 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,0,0,0,0|0,0,2]=3 138 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,0,0,0,0|1,0,2]=4 139 B10R0.75 C=CCSSC[C@H](N)C(=O)O CNP0148945.1 [0,1,0,0,0,0|3,0,0]=4 140 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,1,0,0,0,0|1,0,2]=4 141 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,0,0,0,0|1,0,2]=4 142 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,1,0,0,0,0|1,0,2]=4 143 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,0,0,0,0|1,0,2]=4 144 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,1,0,0,0,0|1,0,2]=4 145 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,0,0,0,0|2,0,1]=4 146 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,0,0,0,0|2,0,1]=4 147 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,0,0,0,0|2,0,1]=4 148 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [0,1,0,0,0,0|3,0,0]=4 149 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,1,0,0,0,0|1,0,1]=3 150 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,1,0,0,0,0|1,0,2]=4 151 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,0,0,0,0|0,0,2]=3 152 B10R0.97 CC(=O)CCSCCC(=O)C CNP0272000.0 [0,1,0,0,0,0|1,0,1]=3 153 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,1,0,0,0,0|2,0,0]=3 154 B10R0.97 CC(=O)OCCCOC(=O)C CNP0501708.0 [0,1,0,0,0,0|2,0,1]=4 155 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,1,0,0,0,0|1,0,2]=4 156 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,1,0,0,0,0|1,0,2]=4 157 B10R0.97 N=C(N)NCCCCC(=O)O CNP0295087.0 [0,1,0,0,0,0|3,0,0]=4 158 B10R0.97 NC(=O)NCCCCC(=O)O CNP0243666.0 [0,1,0,0,0,0|3,0,0]=4 159 B10R0.97 O=C(Cl)CCCCCC(=O)Cl CNP0111059.0 [0,1,0,0,0,0|2,0,0]=3 160 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [0,1,0,0,0,0|2,0,0]=3 161 B10R0.97 O=C(O)CCSCCC(=O)O CNP0302382.0 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,0,1,0,0|1,0,2]=4 163 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,1,0,0|1,0,2]=4 164 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,0,1,0,0|1,0,2]=4 165 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,0,1,0,0|1,0,2]=4 166 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,0,0,1,0,0|2,0,1]=4 167 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,0,1,0,0|1,0,1]=3 168 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,0,1,0,0|1,0,1]=3 169 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,1,0,0|1,0,2]=4 170 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [0,0,0,1,0,0|1,0,1]=3 171 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [0,0,0,1,0,0|2,0,1]=4 172 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [0,0,0,1,0,0|2,0,1]=4 173 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,0,0,1,0,0|1,0,2]=4 174 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,0,0,1,0,0|2,0,1]=4 175 B10R1.38 CC1(CCCCC1C=O)C CNP0462462.0 [0,0,0,1,0,0|2,0,1]=4 176 B10R1.39 CC(=O)C1CCCC1C#N CNP0001282.0 [0,0,0,1,0,0|1,0,1]=3 177 B10R1.39 CC(=O)[C@H]1COC[C@@H]1CO CNP0311924.1 [0,0,0,1,0,0|2,0,1]=4 178 B10R1.61 C=C(C)C1C=CCCC1=C CNP0611281.0 [0,0,0,1,0,0|1,0,2]=4 179 B10R1.61 C=C(C)C1CCCCC1=C CNP0547861.0 [0,0,0,1,0,0|1,0,0]=2 180 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,0,0,1,0,0|1,0,2]=4 181 B10R1.61 C=C(C)[C@@H]1CCC=CC1=C CNP0174240.2 [0,0,0,1,0,0|1,0,2]=4 182 B10R1.61 C=C(C)[C@H]1CCC=CC1=C CNP0174240.1 [0,0,0,1,0,0|1,0,2]=4 183 B10R1.61 CC(=C1CCCCC1=O)C CNP0262850.0 [0,0,0,1,0,0|2,0,1]=4 184 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,0,0,1,0,0|2,0,1]=4 185 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,0,0,1,0,0|2,0,1]=4 186 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,0,0,1,0,0|1,0,1]=3 187 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,0,0,1,0,0|1,0,1]=3 188 B10R1.64 CC(=O)NC1SCCC1=O CNP0498587.0 [0,0,0,1,0,0|3,0,0]=4 189 B10R1.64 CC(=O)N[C@@H]1CCSC1=O CNP0583672.2 [0,0,0,1,0,0|3,0,0]=4 190 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,0,0,1,0,0|3,0,0]=4 191 B10R1.64 CC(=O)N[C@H]1CCSC1=O CNP0583672.1 [0,0,0,1,0,0|3,0,0]=4 192 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,0,0,1,0,0|2,0,1]=4 193 B10R1.64 NC(=O)CN1CCCC1=O CNP0598428.0 [0,0,0,1,0,0|3,0,0]=4 194 B10R1.64 O=C(O)CN1CCCC1=O CNP0509935.0 [0,0,0,1,0,0|3,0,0]=4 195 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,0,0,1,0,0|2,0,1]=4 196 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,0,0,1,0,0|2,0,1]=4 197 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,0,0,1,0,0|2,0,1]=4 198 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|0,0,2]=3 199 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|0,0,2]=3 200 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,0,1,0,0|1,0,1]=3 201 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,0,1,0,0|1,0,1]=3 202 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,0,0,1,0,0|0,0,2]=3 203 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,0,1,0,0|1,0,2]=4 204 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,0,1,0,0|2,0,1]=4 205 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,0,1,0,0|2,0,1]=4 206 B7R0.1 C=CC=CCCCC CNP0084214.0 [2,0,0,0,0,0|0,0,2]=4 207 B7R0.1 C=CCCCC=CC CNP0076717.0 [2,0,0,0,0,0|0,0,1]=3 208 B7R0.1 C=CCCCCC=C CNP0118215.0 [2,0,0,0,0,0|0,0,1]=3 209 B7R0.1 C=CCCCCCC CNP0246919.0 [2,0,0,0,0,0|0,0,0]=2 210 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|0,0,1]=3 211 B7R0.1 C=CCSSCCC CNP0170059.0 [2,0,0,0,0,0|2,0,0]=4 212 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|0,0,2]=4 213 B7R0.1 CCCCCCC#N CNP0186663.0 [2,0,0,0,0,0|1,0,1]=4 214 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,1]=3 215 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|0,0,2]=4 216 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,1]=4 217 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|1,0,1]=4 218 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|1,0,1]=4 219 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|1,0,1]=4 220 B7R0.1 CNCCCCCN CNP0390055.0 [2,0,0,0,0,0|2,0,0]=4 221 B7R0.4 C=C(O)CCCCC CNP0475201.0 [2,0,0,0,0,0|0,0,2]=4 222 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [2,0,0,0,0,0|1,0,0]=3 223 B7R0.4 C=CCCCC(C)C CNP0359236.0 [2,0,0,0,0,0|1,0,1]=4 224 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [2,0,0,0,0,0|2,0,0]=4 225 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [2,0,0,0,0,0|1,0,0]=3 226 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [2,0,0,0,0,0|2,0,0]=4 227 B7R0.4 CC(=O)OCCCS CNP0325111.0 [2,0,0,0,0,0|2,0,0]=4 228 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|0,0,2]=4 229 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|0,0,2]=4 230 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,0]=2 231 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,0]=3 232 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|1,0,0]=3 233 B7R0.4 CCCCCC(=S)O CNP0092443.0 [2,0,0,0,0,0|1,0,1]=4 234 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|1,0,1]=4 235 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|1,0,0]=3 236 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|1,0,1]=4 237 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|0,0,2]=4 238 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|0,1,1]=4 239 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|1,0,1]=4 240 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|0,0,2]=4 241 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|0,1,1]=4 242 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|1,0,0]=3 243 B7R0.4 CCCSOC(=O)C CNP0411356.0 [2,0,0,0,0,0|2,0,0]=4 244 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,0]=3 245 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|2,0,0]=4 246 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|2,0,0]=4 247 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|1,0,0]=3 248 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|2,0,0]=4 249 B7R0.4 NCCCCC(=O)N CNP0001733.0 [2,0,0,0,0,0|2,0,0]=4 250 B7R0.4 NCCCCC(=O)O CNP0167970.0 [2,0,0,0,0,0|2,0,0]=4 251 B7R0.4 O=C(O)CCCCO CNP0601188.0 [2,0,0,0,0,0|2,0,0]=4 252 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [2,0,0,0,0,0|2,0,0]=4 253 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,1,0,0,0,0|0,0,2]=4 254 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [1,1,0,0,0,0|0,0,1]=3 255 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,1,0,0,0,0|0,0,2]=4 256 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,1,0,0,0,0|0,0,2]=4 257 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,1,0,0,0,0|0,0,2]=4 258 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [1,1,0,0,0,0|0,0,1]=3 259 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [1,1,0,0,0,0|0,0,1]=3 260 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,1,0,0,0,0|0,0,1]=3 261 B9R0.45 C=CCCCCCCCO CNP0326407.0 [1,1,0,0,0,0|0,0,1]=3 262 B9R0.45 C=CCCCCCN=C=S CNP0053316.0 [1,1,0,0,0,0|0,1,1]=4 263 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,1,0,0,0,0|0,0,2]=4 264 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,1,0,0,0,0|0,0,2]=4 265 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,1,0,0,0,0|0,0,2]=4 266 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,1,0,0,0,0|0,0,1]=3 267 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,1,0,0,0,0|1,0,1]=4 268 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,1,0,0,0,0|0,0,2]=4 269 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,1,0,0,0,0|0,0,2]=4 270 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,1,0,0,0,0|0,0,2]=4 271 B9R0.45 CSCCCCCC=NO CNP0405939.0 [1,1,0,0,0,0|2,0,0]=4 272 B9R0.45 NCCCNCCCC=O CNP0100864.0 [1,1,0,0,0,0|1,0,1]=4 273 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,1,0,0,0,0|0,0,2]=4 274 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,1,0,0,0,0|0,0,2]=4 275 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [1,1,0,0,0,0|0,0,1]=3 276 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [1,1,0,0,0,0|0,0,2]=4 277 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [1,1,0,0,0,0|0,0,1]=3 278 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [1,1,0,0,0,0|0,0,2]=4 279 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,1,0,0,0,0|0,0,2]=4 280 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [1,1,0,0,0,0|2,0,0]=4 281 B9R0.1 C=CC(=C)CCCC(=C)C CNP0388953.0 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.1 C=C[C@@H](C)CCC=C(C)C CNP0168256.2 [1,1,0,0,0,0|1,0,1]=4 284 B9R0.1 C=C[C@@H](C)CCCC(=C)C CNP0304623.1 [1,1,0,0,0,0|1,0,0]=3 285 B9R0.1 C=C[C@H](C)CCC=C(C)C CNP0168256.1 [1,1,0,0,0,0|1,0,1]=4 286 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [1,1,0,0,0,0|1,0,1]=4 287 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [1,1,0,0,0,0|1,0,1]=4 288 B9R0.4 C=CCC[C@@H](C)C=C(C)C CNP0076360.1 [1,1,0,0,0,0|1,0,1]=4 289 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|0,0,2]=4 290 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [1,1,0,0,0,0|1,0,1]=4 291 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,1,0,0,0,0|1,0,1]=4 292 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [1,1,0,0,0,0|2,0,0]=4 294 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [1,1,0,0,0,0|2,0,0]=4 295 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [1,1,0,0,0,0|2,0,0]=4 296 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [1,1,0,0,0,0|0,0,2]=4 297 B9R0.47 C=CCSC[C@@H](N)C(=O)O CNP0206886.1 [1,1,0,0,0,0|2,0,0]=4 298 B9R0.47 C=CCSC[C@H](N)C(=O)O CNP0206886.2 [1,1,0,0,0,0|2,0,0]=4 299 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|0,0,2]=4 300 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [1,1,0,0,0,0|1,0,1]=4 301 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [1,1,0,0,0,0|1,0,1]=4 302 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,1,0,0,0,0|0,0,1]=3 303 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [1,1,0,0,0,0|1,0,1]=4 304 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [1,1,0,0,0,0|1,0,1]=4 305 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [1,1,0,0,0,0|1,0,1]=4 306 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [1,1,0,0,0,0|2,0,0]=4 307 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [1,1,0,0,0,0|2,0,0]=4 309 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [1,1,0,0,0,0|2,0,0]=4 310 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [1,1,0,0,0,0|2,0,0]=4 311 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [1,1,0,0,0,0|2,0,0]=4 312 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [1,1,0,0,0,0|2,0,0]=4 313 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|0,0,2]=4 314 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,1,0,0,0,0|0,0,1]=3 315 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [1,1,0,0,0,0|1,0,1]=4 316 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [1,1,0,0,0,0|1,0,1]=4 317 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [1,1,0,0,0,0|1,0,1]=4 318 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [1,1,0,0,0,0|1,0,1]=4 319 B9R0.55 C=C(C)CCCC=C(C)C CNP0556185.0 [1,1,0,0,0,0|1,0,1]=4 320 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [1,1,0,0,0,0|1,0,0]=3 321 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,1,0,0,0,0|0,0,1]=3 322 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [1,1,0,0,0,0|1,0,1]=4 323 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [1,1,0,0,0,0|2,0,0]=4 324 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [1,1,0,0,0,0|1,0,1]=4 325 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [1,1,0,0,0,0|1,0,1]=4 326 B9R0.55 NC(=O)CCCCC(=O)N CNP0104382.0 [1,1,0,0,0,0|2,0,0]=4 327 B9R0.55 O=C(Cl)CCCCC(=O)Cl CNP0235392.0 [1,1,0,0,0,0|2,0,0]=4 328 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [1,1,0,0,0,0|2,0,0]=4 329 B11R0.1 C=CCC(C)CC(C)CC(C)C CNP0083066.0 [0,2,0,0,0,0|1,0,1]=4 330 B11R0.6 C[C@H](CCCC(=O)O)CC(=O)O CNP0273190.1 [0,2,0,0,0,0|2,0,0]=4 331 B11R0.6 N[C@@H](CCCC(=O)O)CC(=O)O CNP0360279.1 [0,2,0,0,0,0|2,0,0]=4 332 B11R0.104 C=CCC(C)(O)CCC=C(C)C CNP0493332.0 [0,2,0,0,0,0|1,0,1]=4 333 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,2,0,0,0,0|0,0,2]=4 334 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,2,0,0,0,0|0,0,2]=4 335 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [0,2,0,0,0,0|0,0,2]=4 336 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [0,2,0,0,0,0|1,0,0]=3 337 B11R0.30 CC(=O)NCCCCNC(=O)C CNP0303260.0 [0,2,0,0,0,0|1,0,1]=4 338 B11R0.30 CC(=O)OCCCCOC(=O)C CNP0503986.0 [0,2,0,0,0,0|1,0,1]=4 339 B11R0.30 CC(=O)OCCCCSC(=N)N CNP0478384.0 [0,2,0,0,0,0|2,0,0]=4 340 B11R0.30 N=C(N)NCCCCCC(=O)O CNP0526044.0 [0,2,0,0,0,0|2,0,0]=4 341 B11R0.30 NC(=O)CCCCCCC(=O)N CNP0230952.0 [0,2,0,0,0,0|1,0,1]=4 342 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [0,2,0,0,0,0|1,0,1]=4 343 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl CNP0257088.0 [0,2,0,0,0,0|1,0,1]=4 344 B11R0.30 O=C(O)C=CCCCCC(=O)O CNP0084482.0 [0,2,0,0,0,0|1,0,1]=4 345 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [0,2,0,0,0,0|1,0,1]=4 346 B11R0.30 O=C(O)CCCNCCC(=O)O CNP0349160.0 [0,2,0,0,0,0|2,0,0]=4 347 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [0,2,0,0,0,0|1,0,1]=4 348 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,2,0,0,0,0|0,0,2]=4 349 B11R0.40 C/C=C/CCCCC[C@H](C)CC CNP0099624.1 [0,2,0,0,0,0|1,0,1]=4 350 B11R0.40 C=CCCCC=CCC(=O)OC CNP0572921.0 [0,2,0,0,0,0|0,0,1]=3 351 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,2,0,0,0,0|0,0,0]=2 352 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,2,0,0,0,0|0,0,2]=4 353 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,2,0,0,0,0|0,0,2]=4 354 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,2,0,0,0,0|0,0,2]=4 355 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,2,0,0,0,0|0,0,2]=4 356 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,2,0,0,0,0|0,0,2]=4 357 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,2,0,0,0,0|0,0,2]=4 358 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|0,0,2]=4 359 B11R0.46 CNCCC[C@@H](C)CNC(=O)C CNP0195159.1 [0,2,0,0,0,0|1,0,1]=4 360 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [0,2,0,0,0,0|1,0,0]=3 361 B11R0.148 C=CCCCC=CCOC(=O)C CNP0076931.0 [0,2,0,0,0,0|0,0,1]=3 362 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,2,0,0,0,0|0,0,0]=2 363 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,2,0,0,0,0|1,0,0]=3 364 B11R0.148 C=CCCCCCCCC(C)C CNP0591063.0 [0,2,0,0,0,0|1,0,1]=4 365 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [0,2,0,0,0,0|0,0,2]=4 366 B11R0.148 CC=CCCC=CCCC(=O)O CNP0199986.0 [0,2,0,0,0,0|1,0,1]=4 367 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,2,0,0,0,0|1,0,0]=3 368 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,2,0,0,0,0|1,0,0]=3 369 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,2,0,0,0,0|1,0,0]=3 370 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,2,0,0,0,0|0,0,2]=4 371 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,2,0,0,0,0|0,0,2]=4 372 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,2,0,0,0,0|0,0,2]=4 373 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,2,0,0,0,0|0,0,2]=4 374 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,2,0,0,0,0|0,0,2]=4 375 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,2,0,0,0,0|0,0,2]=4 376 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,2,0,0,0,0|0,0,2]=4 377 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,2,0,0,0,0|0,0,2]=4 378 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,2,0,0,0,0|1,0,1]=4 379 B11R0.77 C=CCCC[C@@H](C=C)OC(=O)C CNP0325653.1 [0,2,0,0,0,0|1,0,0]=3 380 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [0,2,0,0,0,0|0,0,2]=4 381 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [0,2,0,0,0,0|0,0,2]=4 382 B11R0.29 CC(=O)NCCC[C@@H](O)C(=O)O CNP0256684.1 [0,2,0,0,0,0|2,0,0]=4 383 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O CNP0230750.1 [0,2,0,0,0,0|2,0,0]=4 384 B11R0.29 N=C(N)CCCC[C@H](N)C(=O)O CNP0377487.1 [0,2,0,0,0,0|2,0,0]=4 385 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O CNP0196777.1 [0,2,0,0,0,0|2,0,0]=4 386 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O CNP0196777.2 [0,2,0,0,0,0|2,0,0]=4 387 B11R0.29 O=C(O)CCCC[C@H](O)C(=O)O CNP0228172.1 [0,2,0,0,0,0|2,0,0]=4 388 B11R0.4 C=CCC=CCCC(=O)OCC CNP0209435.0 [0,2,0,0,0,0|0,0,2]=4 389 B11R0.4 C=CCCCCCC(C)CCC CNP0085749.0 [0,2,0,0,0,0|1,0,1]=4 390 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,2,0,0,0,0|0,0,2]=4 391 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,2,0,0,0,0|0,0,2]=4 392 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [0,2,0,0,0,0|0,0,2]=4 393 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [0,2,0,0,0,0|0,0,2]=4 394 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [0,2,0,0,0,0|0,0,2]=4 395 B11R0.76 CCCCCCC(CC)C(=O)C CNP0533246.0 [0,2,0,0,0,0|0,0,2]=4 396 B11R0.85 CC(=O)CCC(=O)CCC(=O)C CNP0611971.0 [0,2,0,0,0,0|0,0,2]=4 397 B11R0.85 CC(=O)CCC(=O)CCC(=O)O CNP0599150.0 [0,2,0,0,0,0|1,0,1]=4 398 B11R0.85 CC(CCC(=O)O)CCC(=O)O CNP0505818.0 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|0,0,2]=4 400 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,0,0,1,0,0|0,0,1]=3 401 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [1,0,0,1,0,0|1,0,1]=4 402 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [1,0,0,1,0,0|0,0,2]=4 403 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [1,0,0,1,0,0|0,0,2]=4 404 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [1,0,0,1,0,0|0,0,2]=4 405 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|0,0,2]=4 406 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|1,0,1]=4 407 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|1,0,1]=4 408 B9R1.16 C=CCCCC1CC1=C CNP0302081.0 [1,0,0,1,0,0|0,0,1]=3 409 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|0,0,2]=4 410 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [1,0,0,1,0,0|1,0,0]=3 411 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|1,0,1]=4 412 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [1,0,0,1,0,0|0,0,1]=3 413 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [1,0,0,1,0,0|1,0,1]=4 414 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [1,0,0,1,0,0|1,0,1]=4 415 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|0,0,1]=3 416 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,1,0,0|1,0,1]=4 417 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [1,0,0,1,0,0|1,0,1]=4 418 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [1,0,0,1,0,0|2,0,0]=4 419 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [1,0,0,1,0,0|1,0,1]=4 420 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [1,0,0,1,0,0|1,0,1]=4 421 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,1,0,0|1,0,1]=4 422 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [1,0,0,1,0,0|2,0,0]=4 423 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [1,0,0,1,0,0|2,0,0]=4 424 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [1,0,0,1,0,0|2,0,0]=4 425 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [1,0,0,1,0,0|2,0,0]=4 426 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,1,0,0|1,0,1]=4 427 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [1,0,0,1,0,0|1,0,1]=4 428 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,1,0,0|1,0,0]=3 429 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,1,0,0|1,0,0]=3 430 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,1,0,0|1,0,1]=4 431 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [1,0,0,1,0,0|2,0,0]=4 432 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [1,0,0,1,0,0|1,0,0]=3 433 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [1,0,0,1,0,0|2,0,0]=4 434 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [1,0,0,1,0,0|1,0,0]=3 435 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [1,0,0,1,0,0|0,0,2]=4 436 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [1,0,0,1,0,0|0,0,2]=4 437 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [1,0,0,1,0,0|2,0,0]=4 438 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [1,0,0,1,0,0|1,0,1]=4 439 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [1,0,0,1,0,0|1,0,1]=4 440 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [1,0,0,1,0,0|2,0,0]=4 441 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [1,0,0,1,0,0|2,0,0]=4 442 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|0,0,1]=3 443 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|1,0,1]=4 444 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [1,0,0,1,0,0|1,0,0]=3 445 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [1,0,0,1,0,0|2,0,0]=4 446 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [1,0,0,1,0,0|1,0,1]=4 447 B11R1.64 C=C(C)C1CCC(C1C=O)C CNP0109366.0 [0,1,0,1,0,0|2,0,0]=4 448 B11R1.64 C=C(C)[C@@H]1CC[C@H]([C@H]1C=O)C CNP0109366.1 [0,1,0,1,0,0|2,0,0]=4 449 B11R1.90 C=C(C)CC[C@H]1OCC=C1C CNP0290949.1 [0,1,0,1,0,0|2,0,0]=4 450 B11R1.157 CC(=O)C[C@@H]1CCC[C@@H](N1)C CNP0270441.4 [0,1,0,1,0,0|0,0,2]=4 451 B11R1.157 CC(=O)C[C@@H]1CCC[C@H](N1)C CNP0270441.3 [0,1,0,1,0,0|0,0,2]=4 452 B11R1.157 CC(=O)C[C@H]1CCCC(=N1)C CNP0260516.1 [0,1,0,1,0,0|0,0,1]=3 453 B11R1.157 CC(=O)C[C@H]1CCC[C@@H](N1)C CNP0270441.2 [0,1,0,1,0,0|0,0,2]=4 454 B11R1.157 CC(=O)C[C@H]1CCC[C@H](N1)C CNP0270441.1 [0,1,0,1,0,0|0,0,2]=4 455 B11R1.157 CC(=O)C[C@H]1C[C@@H](CCO1)C CNP0268393.2 [0,1,0,1,0,0|1,0,1]=4 456 B11R1.157 CC(=O)C[C@H]1C[C@H](CCO1)C CNP0268393.1 [0,1,0,1,0,0|1,0,1]=4 457 B11R1.157 CC(=O)NC1=CC(=O)CCC1 CNP0181658.0 [0,1,0,1,0,0|1,0,1]=4 458 B11R1.157 CC(=O)OC1=CC(=O)CCC1 CNP0126229.0 [0,1,0,1,0,0|1,0,1]=4 459 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,1,0,0|0,0,2]=4 460 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 CNP0341504.1 [0,1,0,1,0,0|1,0,0]=3 461 B11R1.166 C=C(C)C1CCC(CC1=C)O CNP0610520.0 [0,1,0,1,0,0|1,0,0]=3 462 B11R1.166 C=C(C)[C@@H]1CC[C@@H](CC1=O)C CNP0179926.4 [0,1,0,1,0,0|2,0,0]=4 463 B11R1.166 C=C(C)[C@@H]1CC[C@H](CC1=O)C CNP0179926.1 [0,1,0,1,0,0|2,0,0]=4 464 B11R1.166 C=C(C)[C@H]1CC[C@@H](CC1=O)C CNP0179926.2 [0,1,0,1,0,0|2,0,0]=4 465 B11R1.166 C=C(C)[C@H]1CC[C@H](CC1=O)C CNP0179926.3 [0,1,0,1,0,0|2,0,0]=4 466 B11R1.166 C=C1CC(CCC1=C(C)C)C CNP0084860.0 [0,1,0,1,0,0|1,0,1]=4 467 B11R1.166 CC(=O)[C@@H]1CC[C@@H](CC1=O)C CNP0076630.1 [0,1,0,1,0,0|1,0,0]=3 468 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,1,0,1,0,0|0,0,2]=4 469 B11R1.53 CC=C1CCCN=C1C(=O)C CNP0002559.0 [0,1,0,1,0,0|1,0,1]=4 470 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,1,0,1,0,0|0,0,2]=4 471 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,1,0,1,0,0|0,0,2]=4 472 B11R1.86 CC(=O)NC1=C(CCCC1)C CNP0186998.0 [0,1,0,1,0,0|0,0,2]=4 473 B11R1.86 CC(=O)N[C@H]1CCCNC1=O CNP0139994.1 [0,1,0,1,0,0|2,0,0]=4 474 B11R1.86 CC(=O)O[C@@H]1CCCC=C1C CNP0153572.1 [0,1,0,1,0,0|1,0,0]=3 475 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,1,0,1,0,0|1,0,1]=4 476 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [0,1,0,1,0,0|1,0,1]=4 477 B11R1.86 NC(=O)CN1CCCCC1=O CNP0303662.0 [0,1,0,1,0,0|2,0,0]=4 478 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,2]=4 479 B11R1.706 C=C(C)C1C=CCCCCC1 CNP0507387.0 [0,1,0,1,0,0|1,0,0]=3 480 B11R1.156 C=C(C)C1C(=C)CCCC1O CNP0503052.0 [0,1,0,1,0,0|1,0,0]=3 481 B11R1.156 C=C1CCCC(C1C(C)C)O CNP0481534.0 [0,1,0,1,0,0|1,0,1]=4 482 B11R1.75 O=C(O)CCC1=CC(=O)CC1 CNP0183676.0 [0,1,0,1,0,0|1,0,1]=4 483 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 CNP0399000.1 [0,1,0,1,0,0|2,0,0]=4 484 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 CNP0399000.2 [0,1,0,1,0,0|2,0,0]=4 485 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,1,0,1,0,0|0,0,2]=4 486 B11R1.40 CCC(=O)CC1CCCCN1 CNP0603150.0 [0,1,0,1,0,0|1,0,1]=4 487 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [0,1,0,1,0,0|0,0,2]=4 488 B11R1.40 COC(=O)CC1C=CCCC1 CNP0380005.0 [0,1,0,1,0,0|0,0,0]=2 489 B11R1.228 COC(=O)C[C@@H]1CCCN1C CNP0238623.1 [0,1,0,1,0,0|1,0,1]=4 490 B11R1.36 CC(C)[C@@H](O)[C@@H]1C=CCCC1 CNP0053771.1 [0,1,0,1,0,0|1,0,1]=4 491 B11R1.36 CC(C)[C@@H](O)[C@H]1C=CCCC1 CNP0053771.3 [0,1,0,1,0,0|1,0,1]=4 492 B11R1.36 CC(C)[C@H](O)[C@@H]1C=CCCC1 CNP0053771.2 [0,1,0,1,0,0|1,0,1]=4 493 B11R1.36 CC(C)[C@H](O)[C@H]1C=CCCC1 CNP0053771.4 [0,1,0,1,0,0|1,0,1]=4 494 B11R1.177 CC(=O)C1CCCCC1(C)C CNP0573229.0 [0,1,0,1,0,0|0,0,2]=4 495 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CNP0339539.1 [0,1,0,1,0,0|2,0,0]=4 496 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O CNP0339539.2 [0,1,0,1,0,0|2,0,0]=4 497 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O CNP0438136.1 [0,1,0,1,0,0|2,0,0]=4 498 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,2,0,0|0,0,2]=4 499 B11R2.350 CC=CC1C2C1C(=O)CC2 CNP0611323.0 [0,0,0,2,0,0|0,0,2]=4 500 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,2,0,0|1,0,1]=4 501 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,2,0,0|1,0,1]=4 502 B11R2.1 O=C1CNC2=C1CCCC2 CNP0612009.0 [0,0,0,2,0,0|1,0,1]=4 503 B11R2.748 O=C1CCC2(C1)CCCC2 CNP0107580.0 [0,0,0,2,0,0|0,0,2]=4 504 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@H]1O2 CNP0485144.1 [0,0,0,2,0,0|2,0,0]=4 505 B11R2.845 O=C(O)[C@H]1C[C@H]2C=C[C@H]1O2 CNP0485144.2 [0,0,0,2,0,0|2,0,0]=4 506 B11R2.533 C=C1CCC2C[C@@H]1C2(C)C CNP0210402.1 [0,0,0,2,0,0|1,0,1]=4 507 B11R2.533 C=C1CC[C@@H]2CC1C2(C)C CNP0210402.2 [0,0,0,2,0,0|1,0,1]=4 508 B11R2.533 C=C1CC[C@@H]2C[C@H]1C2(C)C CNP0210402.4 [0,0,0,2,0,0|1,0,1]=4 509 B11R2.533 C=C1CC[C@H]2C[C@@H]1C2(C)C CNP0210402.3 [0,0,0,2,0,0|1,0,1]=4 510 B11R2.540 CC(=O)C12CC1COC2=O CNP0160915.0 [0,0,0,2,0,0|2,0,0]=4 511 B11R2.732 C=C1C[C@@H]2CC[C@H]1C2(C)C CNP0324529.1 [0,0,0,2,0,0|1,0,1]=4 512 B11R2.732 C=C1C[C@H]2CC[C@@H]1C2(C)C CNP0324529.2 [0,0,0,2,0,0|1,0,1]=4 513 B11R2.432 CN1[C@@H]2CC[C@@H]1CC(=O)C2 CNP0203544.3 [0,0,0,2,0,0|1,0,1]=4 514 B11R2.432 CN1[C@@H]2CC[C@H]1CC(=O)C2 CNP0203544.2 [0,0,0,2,0,0|1,0,1]=4 515 B11R2.432 CN1[C@H]2CC[C@H]1CC(=O)C2 CNP0203544.4 [0,0,0,2,0,0|1,0,1]=4 516 B11R2.684 C=C1C[C@@H]2C[C@H]1CC2(C)C CNP0266797.2 [0,0,0,2,0,0|1,0,1]=4 517 B11R2.684 C=C1C[C@H]2C[C@@H]1CC2(C)C CNP0266797.1 [0,0,0,2,0,0|1,0,1]=4