0 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,0,0,0,0,0|0,0,4]=4 8 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,0,0,0,0,0|0,0,2]=2 10 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,0,0,0,0,0|0,0,2]=2 12 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,0,0,0,0|1,0,0]=1 16 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,0,0,0,0|1,0,0]=1 17 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,0,0,0,0|1,0,0]=1 18 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,0,0,0,0|0,0,0]=0 19 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,0,0,0,0|0,0,1]=1 20 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,0,0,0,0|0,0,1]=1 21 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,0,0,0,0|0,0,1]=1 22 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,0,0,0,0|0,0,1]=1 23 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,0,0,0,0|0,0,1]=1 24 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,0,0,0,0|0,0,1]=1 25 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,0,0,0,0,0|1,0,1]=2 27 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,0,0,0,0,0|1,0,1]=2 28 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,0,0,0,0,0|1,0,0]=1 29 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,0,0,0,0,0|1,0,1]=2 30 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,0,0,0,0|2,0,0]=2 31 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,0,0,0,0,0|1,0,0]=1 32 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.2 CSCCCCNC(=N)S CNP0609247.0 [0,0,0,0,0,0|3,1,0]=4 34 B9R0.2 CSCCCCNC(=S)N CNP0329860.0 [0,0,0,0,0,0|3,1,0]=4 35 B9R0.2 N=C(N)NCCCCCN CNP0326805.0 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.2 NN=CNCCCC(=O)O CNP0018496.0 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,0,0,0,0,0|1,0,0]=1 38 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,0,0,0,0|1,0,2]=4 39 B8R0.4 C=CCCCCCC=C CNP0320273.0 [1,0,0,0,0,0|1,0,2]=4 40 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,0,0,0,0,0|0,0,2]=3 41 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,0,0,0,0|1,0,0]=2 42 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,0,0,0,0|0,0,2]=3 46 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|1,0,1]=3 47 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,0,0,0,0,0|0,0,3]=4 48 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,0,0,0,0|0,0,2]=3 49 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|0,0,3]=4 50 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,0,0,0,0,0|1,0,2]=4 51 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,0,0,0,0,0|0,0,3]=4 52 B8R0.4 CCCC=CCOC=O CNP0131807.0 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,0,0,0,0|0,0,2]=3 54 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,0,0,0,0|0,0,3]=4 55 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,0,0,0,0|0,0,2]=3 57 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|0,0,3]=4 58 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,0,0,0,0|0,0,1]=2 59 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,0,0,0,0|1,0,1]=3 60 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,0,0,0,0|1,0,1]=3 61 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|0,0,0]=1 62 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,0,0,0,0|1,0,1]=3 63 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,0,0,0,0|1,0,1]=3 64 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|0,0,1]=2 65 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,0,0,0,0|1,0,0]=2 67 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|0,0,0]=1 68 B8R0.4 CCCCCCN=C=S CNP0253332.0 [1,0,0,0,0,0|1,1,1]=4 69 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|1,0,0]=2 70 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.4 CCCCCCSSC CNP0510251.0 [1,0,0,0,0,0|3,0,0]=4 72 B8R0.4 CCCCNCCCC CNP0203128.0 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.4 CCCCOCCCC CNP0077266.0 [1,0,0,0,0,0|2,0,1]=4 74 B8R0.4 CCCCOCCCO CNP0141373.0 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.4 CCCCSCCCC CNP0370059.0 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.4 CCOCCOCCO CNP0079970.0 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.4 CSCCCCC=NO CNP0070910.0 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.4 CSCCCCCC#N CNP0267304.0 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,0,0,0,0|1,0,0]=2 80 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,0,0,0,0,0|1,0,2]=4 81 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,0,0,0,0|0,0,2]=3 84 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,0,0,0,0|1,0,2]=4 85 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,0,0,0,0,0|1,0,2]=4 86 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,0,0,0,0|0,0,2]=3 87 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,0,0,0,0|1,0,2]=4 88 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,0,0,0,0|0,0,2]=3 89 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,0,0,0,0|1,0,1]=3 91 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|1,0,0]=2 92 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|1,0,0]=2 93 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|1,0,0]=2 94 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|0,0,0]=1 95 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,0,0,0,0|1,0,1]=3 98 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,0,0,0,0|1,0,1]=3 100 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,0,0,0,0|1,0,0]=2 101 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,0,0,0,0|1,0,1]=3 102 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,0,0,0,0|1,0,0]=2 104 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|2,0,0]=3 106 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,0,0,0,0,0|3,0,0]=4 107 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,0,0,0,0|1,0,0]=2 109 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,0,0,0,0|1,0,0]=2 111 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,0,0,0,0|1,0,1]=3 112 B10R0.3 C=C(C)CCC[C@@H](C)CCBr CNP0070713.1 [0,1,0,0,0,0|3,0,0]=4 113 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [0,1,0,0,0,0|3,0,0]=4 114 B10R0.3 C=C(C)CCC[C@H](C)CCBr CNP0070713.2 [0,1,0,0,0,0|3,0,0]=4 115 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [0,1,0,0,0,0|3,0,0]=4 116 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,0,0,0,0|0,0,1]=2 117 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,0,0,0,0|2,0,0]=3 119 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,1,0,0,0,0|0,0,0]=1 120 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,0|2,0,1]=4 121 B10R0.3 COCC(=O)NCCC(=O)O CNP0328117.0 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.3 C[C@H](O)CCC[C@@H](O)CCO CNP0334179.1 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.3 NCCC(=O)NCCC(=O)O CNP0387017.0 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,1,0,0,0,0|0,0,1]=2 125 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,1,0,0,0,0|1,0,1]=3 126 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,1,0,0,0,0|0,0,1]=2 127 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|1,0,0]=2 128 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,1,0,0,0,0|1,0,1]=3 129 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,0,0,0,0|0,0,1]=2 130 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [0,1,0,0,0,0|0,0,3]=4 131 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,0,0,0,0|1,0,1]=3 132 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,1,0,0,0,0|1,0,2]=4 133 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,1,0,0,0,0|0,0,3]=4 134 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,1,0,0,0,0|1,0,2]=4 135 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,1,0,0,0,0|0,0,1]=2 136 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,1,0,0,0,0|1,0,1]=3 137 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,0,0,0,0|0,0,1]=2 138 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,1,0,0,0,0|1,0,2]=4 139 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [0,1,0,0,0,0|1,0,2]=4 140 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|1,0,1]=3 141 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,1,0,0,0,0|1,0,1]=3 142 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,1,0,0,0,0|1,0,1]=3 143 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,0,0,0,0|0,0,1]=2 144 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,1,0,0,0,0|1,0,2]=4 145 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,0,0,0,0|1,0,0]=2 146 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,0,0,0,0|1,0,0]=2 147 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,0,0,0,0|1,0,0]=2 148 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,0,0,0,0|0,0,0]=1 149 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,1,0,0,0,0|2,0,1]=4 150 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,1,0,0,0,0|1,0,1]=3 151 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,1,0,0,0,0|1,0,1]=3 152 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [0,1,0,0,0,0|2,0,1]=4 153 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [0,1,0,0,0,0|2,0,1]=4 154 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,0,0,0,0|1,0,0]=2 155 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,0,0,0,0|2,0,0]=3 156 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [0,1,0,0,0,0|2,0,1]=4 157 B10R0.4 CSCCCCCNC(=N)S CNP0609535.0 [0,1,0,0,0,0|2,1,0]=4 158 B10R0.4 CSCCCCCNC(=S)N CNP0380600.0 [0,1,0,0,0,0|2,1,0]=4 159 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [0,1,0,0,0,0|2,0,1]=4 160 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,0,0,0,0|0,0,0]=1 161 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,1,0,0,0,0|1,0,0]=2 162 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,1,0,0,0,0|1,0,0]=2 163 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,0,0,0,0|0,0,0]=1 164 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,0,0,0,0|0,0,0]=1 165 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,0,0,0,0|0,0,1]=2 166 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,1,0,0,0,0|0,0,0]=1 167 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,1,0,0,0,0|0,0,0]=1 168 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,0|2,0,0]=3 169 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,1,0,0,0,0|0,0,0]=1 170 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,1,0,0,0,0|2,0,1]=4 171 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,1,0,0,0,0|1,0,0]=2 172 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,1,0,0,0,0|2,0,0]=3 173 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,1,0,0,0,0|2,0,0]=3 174 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [0,1,0,0,0,0|0,0,2]=3 175 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,1,0,0,0,0|1,0,1]=3 176 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,0,0,0,0|0,0,0]=1 177 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,1,0,0,0,0|2,0,1]=4 178 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,1,0,0,0,0|1,0,1]=3 179 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,0,0,0,0|1,0,0]=2 180 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,1,0,0,0,0|1,0,1]=3 181 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,0,0,0,0|0,0,2]=3 182 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,1,0,0,0,0|0,0,2]=3 183 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,1,0,0,0,0|0,0,2]=3 184 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,1,0,0,0,0|0,0,2]=3 185 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,0,0,0,0|1,0,0]=2 186 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|1,0,0]=2 187 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,0,0,0,0|0,0,0]=1 188 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,0,0,0,0|0,0,0]=1 189 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,0,0,0,0|0,1,0]=2 190 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,1,0,0,0,0|1,0,1]=3 191 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,1,0,0,0,0|2,0,1]=4 192 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,1,0,0,0,0|2,0,1]=4 193 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,1,0,0,0,0|1,0,1]=3 194 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,1,0,0,0,0|2,0,1]=4 195 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,1,0,0,0,0|1,0,1]=3 196 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,0,0,0,0|2,0,0]=3 197 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,1,0,0,0,0|0,0,1]=2 198 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,1,0,0,0,0|0,0,0]=1 199 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,0,0,0,0|0,0,0]=1 200 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,1,0,0,0,0|0,0,0]=1 201 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,0,0,0,0|0,0,0]=1 202 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,1,0,0,0,0|0,0,0]=1 203 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,1,0,0,0,0|1,0,0]=2 204 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [0,1,0,0,0,0|2,0,0]=3 205 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,0,0,0,0|1,0,0]=2 206 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,1,0,0,0,0|1,0,1]=3 207 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,0,0,0,0|1,0,0]=2 208 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,0,0,0,0|1,0,0]=2 209 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [0,1,0,0,0,0|2,0,0]=3 210 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [0,1,0,0,0,0|2,0,0]=3 211 B10R0.75 N[C@@H](CSSCCO)C(=O)O CNP0533136.1 [0,1,0,0,0,0|3,0,0]=4 212 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,1,0,0,0,0|1,0,1]=3 213 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [0,1,0,0,0,0|2,0,1]=4 214 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,1,0,0,0,0|0,0,0]=1 215 B10R0.78 CCCC[C@H](O)CCC(C)C CNP0214806.1 [0,1,0,0,0,0|2,0,1]=4 216 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,1,0,0,0,0|2,0,1]=4 217 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,0,0,0,0|1,0,0]=2 218 B10R0.97 CC(=O)CCSCCC(=O)C CNP0272000.0 [0,1,0,0,0,0|2,0,1]=4 219 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,1,0,0,0,0|1,0,1]=3 220 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,1,0,0,0,0|0,0,0]=1 221 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [0,1,0,0,0,0|1,0,1]=3 222 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [0,1,0,0,0,0|0,0,2]=3 223 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,1,0,0,0,0|0,0,0]=1 224 B10R0.97 CC(O)CCOCCC(C)O CNP0211333.0 [0,1,0,0,0,0|2,0,1]=4 225 B10R0.97 N=C(N)NCCCCC(=O)O CNP0295087.0 [0,1,0,0,0,0|2,0,1]=4 226 B10R0.97 NC(=O)NCCCCC(=O)O CNP0243666.0 [0,1,0,0,0,0|2,0,1]=4 227 B10R0.97 O=C(Cl)CCCCCC(=O)Cl CNP0111059.0 [0,1,0,0,0,0|2,0,1]=4 228 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [0,1,0,0,0,0|1,0,1]=3 229 B10R0.97 O=C(O)CCSCCC(=O)O CNP0302382.0 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,0,1,0,0|0,0,0]=1 231 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,0,0,1,0,0|0,0,2]=3 232 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,0,0,1,0,0|2,0,1]=4 233 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,0,0,1,0,0|2,0,1]=4 234 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,0,0,1,0,0|0,0,2]=3 235 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,0,0,1,0,0|2,0,1]=4 236 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,0,0,1,0,0|2,0,1]=4 237 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,0,0,1,0,0|2,0,1]=4 238 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,0,0,1,0,0|2,0,1]=4 239 B10R1.10 CCO[C@@H]1CSCC(=O)N1 CNP0053864.1 [0,0,0,1,0,0|3,0,0]=4 240 B10R1.10 CCO[C@H]1CSCC(=O)N1 CNP0053864.2 [0,0,0,1,0,0|3,0,0]=4 241 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,0,0,1,0,0|0,0,2]=3 242 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,1,0,0|2,0,0]=3 243 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,0,1,0,0|0,0,0]=1 244 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,0,1,0,0|0,0,0]=1 245 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [0,0,0,1,0,0|2,0,1]=4 246 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,0,0,1,0,0|2,0,0]=3 247 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,0,1,0,0|2,0,0]=3 248 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,0,1,0,0|2,0,0]=3 249 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,1,0,0|2,0,0]=3 250 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [0,0,0,1,0,0|2,0,1]=4 251 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [0,0,0,1,0,0|2,0,1]=4 252 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [0,0,0,1,0,0|2,0,1]=4 253 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [0,0,0,1,0,0|2,0,1]=4 254 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [0,0,0,1,0,0|2,0,0]=3 255 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [0,0,0,1,0,0|2,0,0]=3 256 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,0,0,1,0,0|0,0,0]=1 257 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,0,0,1,0,0|1,0,0]=2 258 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,0,0,1,0,0|1,0,0]=2 259 B10R1.39 CC(=O)C1CCCC1C#N CNP0001282.0 [0,0,0,1,0,0|2,0,1]=4 260 B10R1.39 CC(=O)[C@H]1COC[C@@H]1CO CNP0311924.1 [0,0,0,1,0,0|3,0,0]=4 261 B10R1.39 CO[C@H]1CCCN1C(=O)N CNP0298876.1 [0,0,0,1,0,0|3,0,0]=4 262 B10R1.39 O=NN1CCCC1C(=O)O CNP0553428.0 [0,0,0,1,0,0|3,0,0]=4 263 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,0,0,1,0,0|2,0,0]=3 264 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,0,0,1,0,0|1,0,0]=2 265 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,0,0,1,0,0|2,0,0]=3 266 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,0,0,1,0,0|2,0,0]=3 267 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,0,0,1,0,0|2,0,0]=3 268 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,0,0,1,0,0|2,0,0]=3 269 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,0,0,1,0,0|1,0,0]=2 270 B10R1.64 C[C@@H](O)C[C@@H]1CCCN1C CNP0115494.4 [0,0,0,1,0,0|2,0,1]=4 271 B10R1.64 C[C@@H](O)C[C@H]1CCCN1C CNP0115494.1 [0,0,0,1,0,0|2,0,1]=4 272 B10R1.64 C[C@H](O)C[C@@H]1CCCN1C CNP0115494.3 [0,0,0,1,0,0|2,0,1]=4 273 B10R1.64 C[C@H](O)C[C@H]1CCCN1C CNP0115494.2 [0,0,0,1,0,0|2,0,1]=4 274 B10R1.64 O=C(O)CN1CCCC1=O CNP0509935.0 [0,0,0,1,0,0|2,0,1]=4 275 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,0,0,1,0,0|3,0,0]=4 276 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,0,0,1,0,0|3,0,0]=4 277 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,0,0,1,0,0|1,0,0]=2 278 B10R1.66 O=C(O)CNC1=CCCC1 CNP0531504.0 [0,0,0,1,0,0|1,0,2]=4 279 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|1,0,2]=4 280 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|1,0,0]=2 281 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,0,1,0,0|2,0,0]=3 282 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,0,1,0,0|2,0,0]=3 283 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,0,1,0,0|0,0,0]=1 284 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,0,1,0,0|1,0,0]=2 285 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,0,1,0,0|1,0,0]=2 286 B7R0.1 C=CCCCCCC CNP0246919.0 [2,0,0,0,0,0|0,0,1]=3 287 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|0,0,2]=4 288 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|1,0,1]=4 289 B7R0.1 CCC=CCCC=O CNP0265888.0 [2,0,0,0,0,0|0,0,2]=4 290 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|0,0,2]=4 291 B7R0.1 CCCC=CCC=O CNP0201799.0 [2,0,0,0,0,0|0,0,2]=4 292 B7R0.1 CCCC=CCCO CNP0287313.0 [2,0,0,0,0,0|0,0,2]=4 293 B7R0.1 CCCCC=CC=O CNP0210810.0 [2,0,0,0,0,0|0,0,2]=4 294 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|0,0,2]=4 295 B7R0.1 CCCCCCC#N CNP0186663.0 [2,0,0,0,0,0|1,0,1]=4 296 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,0]=2 297 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|0,0,1]=3 298 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,0]=3 299 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|0,0,0]=2 300 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|1,0,1]=4 301 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|1,0,0]=3 302 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|1,0,1]=4 303 B7R0.1 CCCCCON=O CNP0511882.0 [2,0,0,0,0,0|2,0,0]=4 304 B7R0.1 CCCCNCCO CNP0185911.0 [2,0,0,0,0,0|1,0,0]=3 305 B7R0.1 CCCCOCCO CNP0080154.0 [2,0,0,0,0,0|1,0,0]=3 306 B7R0.1 CCNCCCCN CNP0107714.0 [2,0,0,0,0,0|2,0,0]=4 307 B7R0.1 CNCCCCCN CNP0390055.0 [2,0,0,0,0,0|2,0,0]=4 308 B7R0.1 COCCOCCO CNP0610336.0 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.1 NCCCCCCN CNP0230906.0 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.1 NCCCCCCO CNP0568466.0 [2,0,0,0,0,0|1,0,0]=3 311 B7R0.1 NCCCCCNO CNP0455910.0 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.1 OCCCCCCBr CNP0593386.0 [2,0,0,0,0,0|1,0,0]=3 313 B7R0.1 OCCCCCCO CNP0080019.0 [2,0,0,0,0,0|1,0,0]=3 314 B7R0.1 OCCCCCCS CNP0154751.0 [2,0,0,0,0,0|1,0,0]=3 315 B7R0.1 OCCCSCCO CNP0079791.0 [2,0,0,0,0,0|2,0,0]=4 316 B7R0.1 SCCCCCCS CNP0089642.0 [2,0,0,0,0,0|1,1,0]=4 317 B7R0.4 C=C(O)CCCCC CNP0475201.0 [2,0,0,0,0,0|1,0,0]=3 318 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [2,0,0,0,0,0|0,0,2]=4 319 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|0,0,2]=4 320 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|0,0,2]=4 321 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [2,0,0,0,0,0|0,0,2]=4 322 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|1,0,0]=3 323 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,0]=3 324 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|0,0,0]=2 325 B7R0.4 CCCCCC(=S)O CNP0092443.0 [2,0,0,0,0,0|0,1,0]=3 326 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|0,0,0]=2 327 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|1,0,1]=4 328 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|1,0,1]=4 329 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|2,0,0]=4 330 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|2,0,0]=4 331 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|1,0,0]=3 332 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|1,0,0]=3 333 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|2,0,0]=4 334 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [2,0,0,0,0,0|1,0,1]=4 335 B7R0.4 NCCCCC(=O)N CNP0001733.0 [2,0,0,0,0,0|2,0,0]=4 336 B7R0.4 NCCCCC(=O)O CNP0167970.0 [2,0,0,0,0,0|1,0,0]=3 337 B7R0.4 NCCNCC(=O)O CNP0461877.0 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.4 O=C(O)CCCCO CNP0601188.0 [2,0,0,0,0,0|1,0,0]=3 339 B7R0.4 O=C(O)CNCCO CNP0333030.0 [2,0,0,0,0,0|2,0,0]=4 340 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [2,0,0,0,0,0|1,0,1]=4 341 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,1,0,0,0,0|1,0,1]=4 342 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [1,1,0,0,0,0|1,0,0]=3 343 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,1,0,0,0,0|0,0,1]=3 344 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,1,0,0,0,0|0,0,2]=4 345 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,1,0,0,0,0|0,0,0]=2 346 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,1,0,0,0,0|0,0,0]=2 347 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,1,0,0,0,0|1,0,1]=4 348 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [1,1,0,0,0,0|1,0,0]=3 349 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [1,1,0,0,0,0|1,0,1]=4 350 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [1,1,0,0,0,0|1,0,1]=4 351 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [1,1,0,0,0,0|0,0,1]=3 352 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [1,1,0,0,0,0|1,0,1]=4 353 B9R0.45 C#CCCCCCCCC CNP0272182.0 [1,1,0,0,0,0|1,0,1]=4 354 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,1,0,0,0,0|1,0,1]=4 355 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [1,1,0,0,0,0|1,0,1]=4 356 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,1,0,0,0,0|1,0,0]=3 357 B9R0.45 C=CCCCCCCCO CNP0326407.0 [1,1,0,0,0,0|1,0,0]=3 358 B9R0.45 CC#CCCCCCCC CNP0076890.0 [1,1,0,0,0,0|1,0,1]=4 359 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,1,0,0,0,0|0,0,1]=3 360 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,1,0,0,0,0|1,0,1]=4 361 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,1,0,0,0,0|0,0,2]=4 362 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,1,0,0,0,0|0,0,1]=3 363 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,1,0,0,0,0|0,0,1]=3 364 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,1,0,0,0,0|0,0,2]=4 365 B9R0.45 CCCCCCC#CCO CNP0485953.0 [1,1,0,0,0,0|0,0,2]=4 366 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,1,0,0,0,0|0,0,1]=3 367 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,1,0,0,0,0|0,0,1]=3 368 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,1,0,0,0,0|0,0,0]=2 369 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,1,0,0,0,0|0,0,0]=2 370 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,1,0,0,0,0|0,0,0]=2 371 B9R0.45 CCCCCCCCC#N CNP0309769.0 [1,1,0,0,0,0|1,0,1]=4 372 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,1,0,0,0,0|0,0,0]=2 373 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,1,0,0,0,0|1,0,1]=4 374 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,1,0,0,0,0|1,0,1]=4 375 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,1,0,0,0,0|0,0,1]=3 376 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,1,0,0,0,0|0,0,1]=3 377 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,1,0,0,0,0|0,0,0]=2 378 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,1,0,0,0,0|0,0,0]=2 379 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,1,0,0,0,0|1,0,1]=4 380 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,1,0,0,0,0|1,0,1]=4 381 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,1,0,0,0,0|1,0,1]=4 382 B9R0.45 CCCCOCCCCO CNP0571704.0 [1,1,0,0,0,0|0,0,1]=3 383 B9R0.45 CSCCCCCC=NO CNP0405939.0 [1,1,0,0,0,0|1,0,0]=3 384 B9R0.45 CSCCCCCCC#N CNP0328653.0 [1,1,0,0,0,0|1,0,1]=4 385 B9R0.45 NCCCCCCCCN CNP0462737.0 [1,1,0,0,0,0|1,0,1]=4 386 B9R0.45 NCCCNCCCC=O CNP0100864.0 [1,1,0,0,0,0|1,0,0]=3 387 B9R0.45 OCCCCCCCCO CNP0076363.0 [1,1,0,0,0,0|0,0,1]=3 388 B9R0.45 SCCCCCCCCS CNP0058300.0 [1,1,0,0,0,0|0,1,1]=4 389 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,1,0,0,0,0|1,0,1]=4 390 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,1,0,0,0,0|1,0,1]=4 391 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [1,1,0,0,0,0|1,0,0]=3 392 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [1,1,0,0,0,0|2,0,0]=4 393 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [1,1,0,0,0,0|1,0,0]=3 394 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [1,1,0,0,0,0|2,0,0]=4 395 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [1,1,0,0,0,0|0,0,2]=4 396 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [1,1,0,0,0,0|1,0,1]=4 397 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,1,0,0,0,0|0,0,0]=2 398 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [1,1,0,0,0,0|0,0,1]=3 399 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [1,1,0,0,0,0|2,0,0]=4 400 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|1,0,1]=4 401 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,1,0,0,0,0|1,0,1]=4 402 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [1,1,0,0,0,0|0,0,1]=3 403 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,1,0,0,0,0|2,0,0]=4 404 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,1,0,0,0,0|1,0,1]=4 405 B9R0.46 CCCSSC[C@H](N)C=O CNP0579506.1 [1,1,0,0,0,0|2,0,0]=4 406 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [1,1,0,0,0,0|0,0,1]=3 407 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [1,1,0,0,0,0|0,0,0]=2 408 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [1,1,0,0,0,0|1,0,1]=4 409 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [1,1,0,0,0,0|2,0,0]=4 410 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [1,1,0,0,0,0|1,0,1]=4 411 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [1,1,0,0,0,0|0,0,2]=4 412 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [1,1,0,0,0,0|0,0,2]=4 413 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|1,0,1]=4 414 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [1,1,0,0,0,0|0,0,0]=2 415 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,1,0,0,0,0|2,0,0]=4 416 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [1,1,0,0,0,0|0,0,0]=2 417 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [1,1,0,0,0,0|1,0,1]=4 418 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [1,1,0,0,0,0|1,0,0]=3 419 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [1,1,0,0,0,0|2,0,0]=4 420 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [1,1,0,0,0,0|1,0,0]=3 421 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [1,1,0,0,0,0|1,0,0]=3 422 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [1,1,0,0,0,0|1,0,1]=4 423 B9R0.47 CC(CSCCN)C(=O)O CNP0002353.0 [1,1,0,0,0,0|2,0,0]=4 424 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|1,0,1]=4 425 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [1,1,0,0,0,0|1,0,1]=4 426 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [1,1,0,0,0,0|0,0,0]=2 427 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [1,1,0,0,0,0|0,0,0]=2 428 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,1,0,0,0,0|1,0,0]=3 429 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [1,1,0,0,0,0|0,0,0]=2 430 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [1,1,0,0,0,0|0,0,0]=2 431 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [1,1,0,0,0,0|0,0,0]=2 432 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [1,1,0,0,0,0|1,0,1]=4 433 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [1,1,0,0,0,0|1,0,1]=4 434 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [1,1,0,0,0,0|1,0,0]=3 435 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [1,1,0,0,0,0|1,0,0]=3 436 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [1,1,0,0,0,0|1,0,0]=3 437 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [1,1,0,0,0,0|1,0,0]=3 438 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [1,1,0,0,0,0|1,0,0]=3 439 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [1,1,0,0,0,0|1,0,0]=3 440 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [1,1,0,0,0,0|1,0,0]=3 441 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [1,1,0,0,0,0|1,0,1]=4 442 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [1,1,0,0,0,0|1,0,0]=3 443 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [1,1,0,0,0,0|1,0,0]=3 444 B9R0.47 CSCSC[C@H](N)C(=O)O CNP0280822.1 [1,1,0,0,0,0|2,0,0]=4 445 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [1,1,0,0,0,0|1,0,1]=4 446 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [1,1,0,0,0,0|1,0,0]=3 447 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [1,1,0,0,0,0|2,0,0]=4 448 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [1,1,0,0,0,0|1,0,0]=3 449 B9R0.47 NCCOC[C@@H](N)C(=O)O CNP0214099.2 [1,1,0,0,0,0|2,0,0]=4 450 B9R0.47 NCCOC[C@H](N)C(=O)O CNP0214099.1 [1,1,0,0,0,0|2,0,0]=4 451 B9R0.47 NCCSC[C@H](N)C(=O)O CNP0297414.1 [1,1,0,0,0,0|2,0,0]=4 452 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [1,1,0,0,0,0|1,0,0]=3 453 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [1,1,0,0,0,0|1,0,1]=4 454 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [1,1,0,0,0,0|1,0,0]=3 455 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [1,1,0,0,0,0|2,0,0]=4 456 B9R0.47 N[C@@H](CCSCO)C(=O)O CNP0246797.1 [1,1,0,0,0,0|2,0,0]=4 457 B9R0.47 N[C@@H](CSCCO)C(=O)O CNP0350927.1 [1,1,0,0,0,0|2,0,0]=4 458 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [1,1,0,0,0,0|1,0,0]=3 459 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [1,1,0,0,0,0|2,0,0]=4 460 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|1,0,1]=4 461 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [1,1,0,0,0,0|1,0,1]=4 462 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,1,0,0,0,0|1,0,0]=3 463 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [1,1,0,0,0,0|0,0,0]=2 464 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [1,1,0,0,0,0|0,0,0]=2 465 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [1,1,0,0,0,0|0,0,0]=2 466 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [1,1,0,0,0,0|0,0,0]=2 467 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [1,1,0,0,0,0|1,0,1]=4 468 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [1,1,0,0,0,0|0,0,1]=3 469 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,1,0,0,0,0|1,0,0]=3 470 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [1,1,0,0,0,0|1,0,1]=4 471 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [1,1,0,0,0,0|1,0,0]=3 472 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [1,1,0,0,0,0|0,0,0]=2 473 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [1,1,0,0,0,0|1,0,1]=4 474 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [1,1,0,0,0,0|0,0,2]=4 475 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [1,1,0,0,0,0|1,0,0]=3 476 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [1,1,0,0,0,0|1,0,0]=3 477 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [1,1,0,0,0,0|1,0,1]=4 478 B11R0.1 C=C(C)CC(C)CC(C)CCC CNP0549740.0 [0,2,0,0,0,0|2,0,0]=4 479 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O CNP0510136.1 [0,2,0,0,0,0|0,0,0]=2 480 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C CNP0402865.1 [0,2,0,0,0,0|0,0,2]=4 481 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C CNP0402865.2 [0,2,0,0,0,0|0,0,2]=4 482 B11R0.6 CC(=O)OC(C)CCCC(C)C CNP0003322.0 [0,2,0,0,0,0|2,0,0]=4 483 B11R0.6 C[C@H](CCCC(=O)O)CC(=O)O CNP0273190.1 [0,2,0,0,0,0|1,0,1]=4 484 B11R0.6 N[C@@H](CCCC(=O)O)CC(=O)O CNP0360279.1 [0,2,0,0,0,0|1,0,1]=4 485 B11R0.45 CCCC(CCOC(=O)C)SC CNP0003227.0 [0,2,0,0,0,0|2,0,0]=4 486 B11R0.59 CCCC(C)C(C)CCC(=O)O CNP0340761.0 [0,2,0,0,0,0|0,0,0]=2 487 B11R0.141 CCCC(=O)SC[C@H](N)C(=O)O CNP0511063.1 [0,2,0,0,0,0|1,0,1]=4 488 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O CNP0109625.1 [0,2,0,0,0,0|1,0,1]=4 489 B11R0.145 CC[C@H](O)[C@H](C)CCC[C@H](C)O CNP0407566.1 [0,2,0,0,0,0|1,0,1]=4 490 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,2,0,0,0,0|1,0,0]=3 491 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [0,2,0,0,0,0|0,0,0]=2 492 B11R0.174 CCCC(C)CCCC(C)CO CNP0041473.0 [0,2,0,0,0,0|1,0,1]=4 493 B11R0.2 CCC/C=C\C[C@@H](N)CC(=O)O CNP0252157.2 [0,2,0,0,0,0|0,0,1]=3 494 B11R0.2 CCC/C=C\C[C@H](N)CC(=O)O CNP0252157.1 [0,2,0,0,0,0|0,0,1]=3 495 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [0,2,0,0,0,0|0,0,1]=3 496 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [0,2,0,0,0,0|2,0,0]=4 497 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [0,2,0,0,0,0|0,0,0]=2 498 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,2,0,0,0,0|1,0,0]=3 499 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [0,2,0,0,0,0|0,0,0]=2 500 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [0,2,0,0,0,0|1,0,0]=3 501 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [0,2,0,0,0,0|0,0,1]=3 502 B11R0.30 CC(C)C=CCCCCC(=O)N CNP0507586.0 [0,2,0,0,0,0|1,0,1]=4 503 B11R0.30 CC(C)C=CCCCCC(=O)O CNP0063333.0 [0,2,0,0,0,0|0,0,1]=3 504 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [0,2,0,0,0,0|0,0,0]=2 505 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [0,2,0,0,0,0|0,0,1]=3 506 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,2,0,0,0,0|0,0,0]=2 507 B11R0.30 N=C(N)NCCCCCC(=O)O CNP0526044.0 [0,2,0,0,0,0|1,0,1]=4 508 B11R0.30 NC(=O)CCCCCCC(=O)N CNP0230952.0 [0,2,0,0,0,0|1,0,1]=4 509 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [0,2,0,0,0,0|0,0,1]=3 510 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl CNP0257088.0 [0,2,0,0,0,0|1,0,1]=4 511 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [0,2,0,0,0,0|0,0,1]=3 512 B11R0.30 O=C(O)CCCCCO[N+](=O)[O-] CNP0534499.0 [0,2,0,0,0,0|2,0,0]=4 513 B11R0.30 O=C(O)CCCNCCC(=O)O CNP0349160.0 [0,2,0,0,0,0|1,0,1]=4 514 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [0,2,0,0,0,0|0,0,1]=3 515 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,2,0,0,0,0|1,0,1]=4 516 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,2,0,0,0,0|0,0,1]=3 517 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,2,0,0,0,0|2,0,0]=4 518 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,2,0,0,0,0|1,0,0]=3 519 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [0,2,0,0,0,0|1,0,1]=4 520 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,2,0,0,0,0|0,0,1]=3 521 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,2,0,0,0,0|0,0,1]=3 522 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,2,0,0,0,0|0,0,1]=3 523 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,2,0,0,0,0|0,0,1]=3 524 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,2,0,0,0,0|0,0,1]=3 525 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,2,0,0,0,0|0,0,1]=3 526 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,2,0,0,0,0|1,0,0]=3 527 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,2,0,0,0,0|0,0,0]=2 528 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,2,0,0,0,0|1,0,1]=4 529 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [0,2,0,0,0,0|0,0,2]=4 530 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,2,0,0,0,0|1,0,0]=3 531 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,2,0,0,0,0|0,0,0]=2 532 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [0,2,0,0,0,0|0,0,1]=3 533 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [0,2,0,0,0,0|0,0,1]=3 534 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,2,0,0,0,0|1,0,1]=4 535 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,2,0,0,0,0|1,0,0]=3 536 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,2,0,0,0,0|0,0,0]=2 537 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,2,0,0,0,0|0,0,0]=2 538 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,2,0,0,0,0|0,0,0]=2 539 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,2,0,0,0,0|0,0,0]=2 540 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,2,0,0,0,0|2,0,0]=4 541 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [0,2,0,0,0,0|0,0,1]=3 542 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [0,2,0,0,0,0|0,0,0]=2 543 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [0,2,0,0,0,0|0,0,0]=2 544 B11R0.42 NCCCNCC[C@H](N)C(=O)O CNP0485831.1 [0,2,0,0,0,0|1,0,0]=3 545 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [0,2,0,0,0,0|0,0,2]=4 546 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|1,0,0]=3 547 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,2,0,0,0,0|0,0,0]=2 548 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [0,2,0,0,0,0|0,0,1]=3 549 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,2,0,0,0,0|0,0,0]=2 550 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [0,2,0,0,0,0|0,0,1]=3 551 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [0,2,0,0,0,0|0,0,1]=3 552 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [0,2,0,0,0,0|0,0,1]=3 553 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [0,2,0,0,0,0|0,0,1]=3 554 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [0,2,0,0,0,0|0,0,1]=3 555 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,2,0,0,0,0|1,0,1]=4 556 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [0,2,0,0,0,0|0,0,1]=3 557 B11R0.46 CNCCC[C@@H](C)CNC(=O)C CNP0195159.1 [0,2,0,0,0,0|2,0,0]=4 558 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [0,2,0,0,0,0|1,0,1]=4 559 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [0,2,0,0,0,0|1,0,1]=4 560 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [0,2,0,0,0,0|1,0,1]=4 561 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,2,0,0,0,0|0,0,0]=2 562 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [0,2,0,0,0,0|0,0,1]=3 563 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [0,2,0,0,0,0|1,0,0]=3 564 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,2,0,0,0,0|0,0,0]=2 565 B11R0.148 C#CCCCCCCC[C@H](C)O CNP0216303.1 [0,2,0,0,0,0|1,0,1]=4 566 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,2,0,0,0,0|1,0,0]=3 567 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,2,0,0,0,0|0,0,0]=2 568 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [0,2,0,0,0,0|1,0,1]=4 569 B11R0.148 CC=CCCC=CCCC(=O)O CNP0199986.0 [0,2,0,0,0,0|0,0,2]=4 570 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,2,0,0,0,0|0,0,0]=2 571 B11R0.148 CCC=CC=CCCCC(=O)O CNP0544989.0 [0,2,0,0,0,0|0,0,2]=4 572 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,2,0,0,0,0|0,0,0]=2 573 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,2,0,0,0,0|1,0,1]=4 574 B11R0.148 CCCC#CC#CCCC(=O)O CNP0313003.0 [0,2,0,0,0,0|0,0,2]=4 575 B11R0.148 CCCC/C=C\CCC[C@@H](C)O CNP0328991.1 [0,2,0,0,0,0|1,0,1]=4 576 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,2,0,0,0,0|1,0,0]=3 577 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,2,0,0,0,0|0,0,0]=2 578 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,2,0,0,0,0|0,0,0]=2 579 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [0,2,0,0,0,0|1,0,1]=4 580 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [0,2,0,0,0,0|0,0,2]=4 581 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,2,0,0,0,0|1,0,0]=3 582 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,2,0,0,0,0|0,0,0]=2 583 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,2,0,0,0,0|1,0,1]=4 584 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,2,0,0,0,0|0,0,0]=2 585 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,2,0,0,0,0|1,0,1]=4 586 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,2,0,0,0,0|1,0,0]=3 587 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,2,0,0,0,0|1,0,0]=3 588 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,2,0,0,0,0|0,0,0]=2 589 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,2,0,0,0,0|2,0,0]=4 590 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,2,0,0,0,0|1,0,0]=3 591 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,2,0,0,0,0|1,0,0]=3 592 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,2,0,0,0,0|1,0,0]=3 593 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,2,0,0,0,0|0,0,0]=2 594 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,2,0,0,0,0|0,1,0]=3 595 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,2,0,0,0,0|0,0,1]=3 596 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,2,0,0,0,0|0,0,1]=3 597 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,2,0,0,0,0|0,0,1]=3 598 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,2,0,0,0,0|0,0,1]=3 599 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,2,0,0,0,0|0,0,1]=3 600 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,2,0,0,0,0|1,0,1]=4 601 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,2,0,0,0,0|1,0,1]=4 602 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,2,0,0,0,0|1,0,0]=3 603 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,2,0,0,0,0|1,0,0]=3 604 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,2,0,0,0,0|1,0,0]=3 605 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,2,0,0,0,0|1,0,0]=3 606 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,2,0,0,0,0|0,0,0]=2 607 B11R0.148 CSCCCCCCNC(=N)S CNP0610239.0 [0,2,0,0,0,0|1,1,0]=4 608 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,2,0,0,0,0|1,0,0]=3 609 B11R0.148 CSCCCCCCNC(=S)N CNP0104929.0 [0,2,0,0,0,0|1,1,0]=4 610 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,2,0,0,0,0|0,0,0]=2 611 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,2,0,0,0,0|0,0,0]=2 612 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [0,2,0,0,0,0|0,0,1]=3 613 B11R0.176 NC(=O)CCCC[C@@H](S)CCS CNP0083595.1 [0,2,0,0,0,0|1,0,0]=3 614 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [0,2,0,0,0,0|0,0,0]=2 615 B11R0.68 CCCC[C@H](O)[C@@H](C)CC(=O)O CNP0548280.1 [0,2,0,0,0,0|0,0,0]=2 616 B11R0.77 C=CC(CCCCC)CC(=O)O CNP0535039.0 [0,2,0,0,0,0|0,0,0]=2 617 B11R0.77 C=C[C@@H](CCCCC)OC(=O)C CNP0392840.2 [0,2,0,0,0,0|2,0,0]=4 618 B11R0.77 C=C[C@H](CCCCC)OC(=O)C CNP0392840.1 [0,2,0,0,0,0|2,0,0]=4 619 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,2,0,0,0,0|2,0,0]=4 620 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,2,0,0,0,0|2,0,0]=4 621 B11R0.139 CCCCCC(=O)C(C)C(=O)C CNP0003046.0 [0,2,0,0,0,0|1,0,1]=4 622 B11R0.139 CCCCCC(O)C(O)C(=O)O CNP0086711.0 [0,2,0,0,0,0|0,0,0]=2 623 B11R0.154 CCCCCC(O)CC(O)CC CNP0502032.0 [0,2,0,0,0,0|1,0,1]=4 624 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [0,2,0,0,0,0|0,0,0]=2 625 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [0,2,0,0,0,0|0,0,0]=2 626 B11R0.165 CCCCCC(=O)CP(=O)(O)O CNP0485796.0 [0,2,0,0,0,0|1,0,1]=4 627 B11R0.49 CCCCCCCC(C)(C)CO CNP0350508.0 [0,2,0,0,0,0|1,0,1]=4 628 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O CNP0237359.1 [0,2,0,0,0,0|1,0,1]=4 629 B11R0.29 CC(=O)NCCC[C@@H](O)C(=O)O CNP0256684.1 [0,2,0,0,0,0|1,0,1]=4 630 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O CNP0230750.1 [0,2,0,0,0,0|1,0,1]=4 631 B11R0.29 CC(C)CCCC[C@H](N)C(=O)O CNP0257008.1 [0,2,0,0,0,0|0,0,0]=2 632 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O CNP0190712.1 [0,2,0,0,0,0|1,0,0]=3 633 B11R0.29 C[C@H](O)CCCC[C@H](N)C(=O)O CNP0300370.1 [0,2,0,0,0,0|0,0,0]=2 634 B11R0.29 N=C(N)CCCC[C@H](N)C(=O)O CNP0377487.1 [0,2,0,0,0,0|1,0,1]=4 635 B11R0.29 NC(N)NCCC[C@H](N)C(=O)O CNP0178652.1 [0,2,0,0,0,0|2,0,0]=4 636 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O CNP0196777.1 [0,2,0,0,0,0|1,0,1]=4 637 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O CNP0196777.2 [0,2,0,0,0,0|1,0,1]=4 638 B11R0.29 O=C(O)CCCC[C@H](O)C(=O)O CNP0228172.1 [0,2,0,0,0,0|1,0,1]=4 639 B11R0.93 CC[C@H](C)C[C@H](C)CCC(=O)O CNP0332942.1 [0,2,0,0,0,0|0,0,0]=2 640 B11R0.106 COC(=O)CCCCC(=O)OC CNP0317209.0 [0,2,0,0,0,0|1,0,1]=4 641 B11R0.109 CC[C@H](C)CCC[C@@H](C)C(=O)O CNP0357116.1 [0,2,0,0,0,0|0,0,0]=2 642 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,2,0,0,0,0|2,0,0]=4 643 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [0,2,0,0,0,0|1,0,1]=4 644 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [0,2,0,0,0,0|0,0,2]=4 645 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [0,2,0,0,0,0|0,0,2]=4 646 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,2,0,0,0,0|0,0,2]=4 647 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,2,0,0,0,0|0,0,2]=4 648 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,2,0,0,0,0|1,0,1]=4 649 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,2,0,0,0,0|1,0,0]=3 650 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,2,0,0,0,0|0,0,0]=2 651 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [0,2,0,0,0,0|1,0,1]=4 652 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,2,0,0,0,0|2,0,0]=4 653 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [0,2,0,0,0,0|0,0,1]=3 654 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [0,2,0,0,0,0|0,0,0]=2 655 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [0,2,0,0,0,0|2,0,0]=4 656 B11R0.124 CCCCCCCC(OC)OC CNP0398698.0 [0,2,0,0,0,0|0,0,2]=4 657 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [0,2,0,0,0,0|0,0,0]=2 658 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [0,2,0,0,0,0|0,0,0]=2 659 B11R0.76 CCCCCCC(CC)C(=O)C CNP0533246.0 [0,2,0,0,0,0|1,0,0]=3 660 B11R0.163 CCCC[C@H](C)/C=C(\C)/C(=O)O CNP0121150.1 [0,2,0,0,0,0|0,0,2]=4 661 B11R0.163 CCCC[S+]([O-])C[C@@H](N)C(=O)O CNP0549891.2 [0,2,0,0,0,0|1,0,0]=3 662 B11R0.163 CCCC[S+]([O-])C[C@H](N)C(=O)O CNP0549891.1 [0,2,0,0,0,0|1,0,0]=3 663 B11R0.163 CCCC[S@+]([O-])C[C@H](N)C(=O)O CNP0549891.4 [0,2,0,0,0,0|1,0,0]=3 664 B11R0.163 CCCC[S@@+]([O-])C[C@H](N)C(=O)O CNP0549891.3 [0,2,0,0,0,0|1,0,0]=3 665 B11R0.163 CCCC[S@H+]([O-])C[C@H](N)C(=O)O CNP0604446.1 [0,2,0,0,0,0|1,0,0]=3 666 B11R0.85 CC(=O)CCC(=O)CCC(=O)O CNP0599150.0 [0,2,0,0,0,0|0,0,2]=4 667 B11R0.85 CC(C)CC[C@@H](N)CCC(=O)O CNP0367952.2 [0,2,0,0,0,0|0,0,0]=2 668 B11R0.85 CC(C)CC[C@H](N)CCC(=O)O CNP0367952.1 [0,2,0,0,0,0|0,0,0]=2 669 B11R0.85 CC(CCC(=O)O)CCC(=O)O CNP0505818.0 [0,2,0,0,0,0|1,0,1]=4 670 B11R0.85 CC(O)/C=C\[C@@H](C)CCC(=O)O CNP0072555.1 [0,2,0,0,0,0|0,0,2]=4 671 B11R0.85 C[C@@H](O)CC[C@H](O)CCC(=O)O CNP0319928.1 [0,2,0,0,0,0|0,0,0]=2 672 B11R0.164 CCCCC(CC)CCC(=O)O CNP0002943.0 [0,2,0,0,0,0|0,0,0]=2 673 B11R0.164 CCCC[C@H](CC)COC(=O)C CNP0084871.1 [0,2,0,0,0,0|2,0,0]=4 674 B11R0.219 CCCCS(=O)(=O)CCC(=O)O CNP0482143.0 [0,2,0,0,0,0|1,0,0]=3 675 B11R0.219 NCCC[P@@](=O)(O)CCC(=O)O CNP0276620.1 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|0,0,0]=2 677 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|1,0,0]=3 678 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [1,0,0,1,0,0|2,0,0]=4 679 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,0,0,1,0,0|1,0,0]=3 680 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [1,0,0,1,0,0|2,0,0]=4 681 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,0,0,1,0,0|1,0,1]=4 682 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [1,0,0,1,0,0|1,0,1]=4 683 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [1,0,0,1,0,0|1,0,1]=4 684 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [1,0,0,1,0,0|1,0,1]=4 685 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [1,0,0,1,0,0|1,0,0]=3 686 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,1,0,0|1,0,0]=3 687 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [1,0,0,1,0,0|2,0,0]=4 688 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [1,0,0,1,0,0|1,0,1]=4 689 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [1,0,0,1,0,0|1,0,1]=4 690 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [1,0,0,1,0,0|1,0,1]=4 691 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [1,0,0,1,0,0|2,0,0]=4 692 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,1,0,0|0,0,1]=3 693 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [1,0,0,1,0,0|0,0,0]=2 694 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [1,0,0,1,0,0|0,0,2]=4 695 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [1,0,0,1,0,0|0,0,0]=2 696 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|0,0,0]=2 697 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [1,0,0,1,0,0|1,0,1]=4 698 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|1,0,0]=3 699 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|1,0,0]=3 700 B9R1.15 O=C1COCCC1CO CNP0612158.0 [1,0,0,1,0,0|2,0,0]=4 701 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|1,0,1]=4 702 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [1,0,0,1,0,0|0,1,1]=4 703 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [1,0,0,1,0,0|1,0,1]=4 704 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|0,0,0]=2 705 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [1,0,0,1,0,0|2,0,0]=4 706 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [1,0,0,1,0,0|1,0,1]=4 707 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|0,0,0]=2 708 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [1,0,0,1,0,0|2,0,0]=4 709 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|1,0,0]=3 710 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,1,0,0|2,0,0]=4 711 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [1,0,0,1,0,0|1,0,0]=3 712 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [1,0,0,1,0,0|2,0,0]=4 713 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [1,0,0,1,0,0|2,0,0]=4 714 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [1,0,0,1,0,0|1,0,0]=3 715 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [1,0,0,1,0,0|0,0,2]=4 716 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [1,0,0,1,0,0|1,0,1]=4 717 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,1,0,0|0,0,0]=2 718 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [1,0,0,1,0,0|1,0,0]=3 719 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [1,0,0,1,0,0|1,0,1]=4 720 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [1,0,0,1,0,0|1,0,0]=3 721 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [1,0,0,1,0,0|1,0,0]=3 722 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [1,0,0,1,0,0|2,0,0]=4 723 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [1,0,0,1,0,0|2,0,0]=4 724 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [1,0,0,1,0,0|0,0,2]=4 725 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [1,0,0,1,0,0|1,0,0]=3 726 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [1,0,0,1,0,0|1,0,0]=3 727 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [1,0,0,1,0,0|2,0,0]=4 728 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [1,0,0,1,0,0|1,0,0]=3 729 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [1,0,0,1,0,0|1,0,1]=4 730 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,1,0,0|0,0,0]=2 731 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [1,0,0,1,0,0|1,0,0]=3 732 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [1,0,0,1,0,0|1,0,0]=3 733 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [1,0,0,1,0,0|2,0,0]=4 734 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,1,0,0|2,0,0]=4 735 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,1,0,0|2,0,0]=4 736 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,1,0,0|0,0,0]=2 737 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [1,0,0,1,0,0|1,0,0]=3 738 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [1,0,0,1,0,0|0,0,2]=4 739 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [1,0,0,1,0,0|1,0,0]=3 740 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [1,0,0,1,0,0|0,0,2]=4 741 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [1,0,0,1,0,0|1,0,0]=3 742 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [1,0,0,1,0,0|1,0,0]=3 743 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [1,0,0,1,0,0|0,0,0]=2 744 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [1,0,0,1,0,0|0,0,0]=2 745 B9R1.41 NN1CCC[C@H]1C(=O)O CNP0198646.1 [1,0,0,1,0,0|2,0,0]=4 746 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [1,0,0,1,0,0|1,0,0]=3 747 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [1,0,0,1,0,0|2,0,0]=4 748 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [1,0,0,1,0,0|2,0,0]=4 749 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [1,0,0,1,0,0|1,0,0]=3 750 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [1,0,0,1,0,0|2,0,0]=4 751 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [1,0,0,1,0,0|2,0,0]=4 752 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [1,0,0,1,0,0|2,0,0]=4 753 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [1,0,0,1,0,0|2,0,0]=4 754 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [1,0,0,1,0,0|2,0,0]=4 755 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [1,0,0,1,0,0|2,0,0]=4 756 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [1,0,0,1,0,0|2,0,0]=4 757 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|1,0,0]=3 758 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|0,0,0]=2 759 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [1,0,0,1,0,0|1,0,1]=4 760 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [1,0,0,1,0,0|0,0,0]=2 761 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [1,0,0,1,0,0|1,0,1]=4 762 B11R1.15 C/C=C/[C@H](O)C1CCC(=O)O1 CNP0279920.3 [0,1,0,1,0,0|0,0,2]=4 763 B11R1.15 C/C=C/[C@H](O)[C@@H]1CCC(=O)O1 CNP0279920.2 [0,1,0,1,0,0|0,0,2]=4 764 B11R1.15 C/C=C/[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.1 [0,1,0,1,0,0|0,0,2]=4 765 B11R1.15 CC=C[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.4 [0,1,0,1,0,0|0,0,2]=4 766 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,1,0,1,0,0|1,0,1]=4 767 B11R1.157 CC(=O)C[C@@H]1CCC[C@@H](N1)C CNP0270441.4 [0,1,0,1,0,0|1,0,0]=3 768 B11R1.157 CC(=O)C[C@@H]1CCC[C@H](N1)C CNP0270441.3 [0,1,0,1,0,0|1,0,0]=3 769 B11R1.157 CC(=O)C[C@H]1CCCC(=N1)C CNP0260516.1 [0,1,0,1,0,0|1,0,1]=4 770 B11R1.157 CC(=O)C[C@H]1CCC[C@@H](N1)C CNP0270441.2 [0,1,0,1,0,0|1,0,0]=3 771 B11R1.157 CC(=O)C[C@H]1CCC[C@H](N1)C CNP0270441.1 [0,1,0,1,0,0|1,0,0]=3 772 B11R1.157 CC(=O)C[C@H]1C[C@@H](CCO1)C CNP0268393.2 [0,1,0,1,0,0|2,0,0]=4 773 B11R1.157 CC(=O)C[C@H]1C[C@H](CCO1)C CNP0268393.1 [0,1,0,1,0,0|2,0,0]=4 774 B11R1.157 CC(=O)O[C@@H]1CCC[C@@H](C1)C CNP0286478.1 [0,1,0,1,0,0|2,0,0]=4 775 B11R1.157 CC(=O)O[C@@H]1CCC[C@H](C1)C CNP0286478.3 [0,1,0,1,0,0|2,0,0]=4 776 B11R1.157 CC(=O)O[C@H]1CCC[C@H](C1)C CNP0286478.2 [0,1,0,1,0,0|2,0,0]=4 777 B11R1.157 CC1=N[C@H](CCC1)C[C@@H](C)O CNP0113372.1 [0,1,0,1,0,0|2,0,0]=4 778 B11R1.157 C[C@@H]1C=C(CCC1)CC(=O)O CNP0142469.1 [0,1,0,1,0,0|0,0,1]=3 779 B11R1.157 C[C@@H]1CCC[C@@H](N1)C[C@@H](C)O CNP0140352.2 [0,1,0,1,0,0|1,0,1]=4 780 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@@H](N1)C CNP0140352.3 [0,1,0,1,0,0|1,0,1]=4 781 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@H](N1)C CNP0140352.1 [0,1,0,1,0,0|1,0,1]=4 782 B11R1.157 C[C@H](O)C[C@H]1CC=CC(=O)O1 CNP0256359.1 [0,1,0,1,0,0|0,0,2]=4 783 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,1,0,0|1,0,0]=3 784 B11R1.157 C[C@H]1CCC[C@H](O1)CC(=O)O CNP0118162.1 [0,1,0,1,0,0|0,0,0]=2 785 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 CNP0341504.1 [0,1,0,1,0,0|0,0,1]=3 786 B11R1.166 CC1=CCC(C(C1)C)C(=O)O CNP0603157.0 [0,1,0,1,0,0|0,0,2]=4 787 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,1,0,0|0,0,0]=2 788 B11R1.563 C[C@@H]1CCO[C@H](CC(=O)C1)O CNP0173979.1 [0,1,0,1,0,0|2,0,0]=4 789 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,1,0,0|0,0,0]=2 790 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,1,0,0|0,0,0]=2 791 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,1,0,1,0,0|0,0,0]=2 792 B11R1.24 CSCC[C@H]1CCNC(=S)O1 CNP0184861.1 [0,1,0,1,0,0|1,1,0]=4 793 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,1,0,1,0,0|0,0,1]=3 794 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,1,0,1,0,0|0,0,1]=3 795 B11R1.27 CCCCCC1OCC(O1)C CNP0002828.0 [0,1,0,1,0,0|1,0,1]=4 796 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,1,0,1,0,0|0,0,1]=3 797 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,1,0,0|0,0,0]=2 798 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,1,0,0|0,0,0]=2 799 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,1,0,1,0,0|0,0,2]=4 800 B11R1.53 O=NN1CCCCC1C(=O)O CNP0086472.0 [0,1,0,1,0,0|2,0,0]=4 801 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,1,0,1,0,0|1,0,0]=3 802 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,1,0,1,0,0|1,0,0]=3 803 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,1,0,1,0,0|2,0,0]=4 804 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [0,1,0,1,0,0|0,0,1]=3 805 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C CNP0332204.2 [0,1,0,1,0,0|1,0,1]=4 806 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C CNP0332204.1 [0,1,0,1,0,0|1,0,1]=4 807 B11R1.86 N[C@@H]1CCCC=C1CC(=O)O CNP0250203.1 [0,1,0,1,0,0|0,0,2]=4 808 B11R1.91 NC(=O)CC[C@@H]1COCCO1 CNP0061677.2 [0,1,0,1,0,0|2,0,0]=4 809 B11R1.91 NC(=O)CC[C@H]1COCCO1 CNP0061677.1 [0,1,0,1,0,0|2,0,0]=4 810 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,1,0,1,0,0|0,0,0]=2 811 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [0,1,0,1,0,0|1,0,0]=3 812 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [0,1,0,1,0,0|1,0,0]=3 813 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,1]=3 814 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,1,0,1,0,0|1,0,1]=4 815 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [0,1,0,1,0,0|1,0,1]=4 816 B11R1.204 O=C(O)[C@@H]1CCN1CCCO CNP0196381.1 [0,1,0,1,0,0|1,0,0]=3 817 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,1,0,1,0,0|0,0,1]=3 818 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,1,0,1,0,0|0,0,1]=3 819 B11R1.742 CC(O)CN1CCCCCC1 CNP0514501.0 [0,1,0,1,0,0|1,0,1]=4 820 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,1,0,1,0,0|0,0,0]=2 821 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,1,0,1,0,0|0,0,0]=2 822 B11R1.77 C[C@@H](CC(=O)O)[C@@H]1CCCO1 CNP0360838.3 [0,1,0,1,0,0|1,0,0]=3 823 B11R1.77 C[C@@H](CC(=O)O)[C@H]1CCCO1 CNP0360838.2 [0,1,0,1,0,0|1,0,0]=3 824 B11R1.77 C[C@H](CC(=O)O)[C@@H]1CCCO1 CNP0360838.1 [0,1,0,1,0,0|1,0,0]=3 825 B11R1.77 C[C@H](CC(=O)O)[C@H]1CCCO1 CNP0360838.4 [0,1,0,1,0,0|1,0,0]=3 826 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,1,0,1,0,0|0,0,0]=2 827 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,1,0,1,0,0|0,0,0]=2 828 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,1,0,1,0,0|0,0,0]=2 829 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,1,0,1,0,0|0,0,0]=2 830 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [0,1,0,1,0,0|2,0,0]=4 831 B11R1.928 C[N+]1(CCCCC1)CC(=O)[O-] CNP0083853.0 [0,1,0,1,0,0|1,0,1]=4 832 B11R1.928 NC1(CCOCC1)CC(=O)O CNP0399325.0 [0,1,0,1,0,0|1,0,0]=3 833 B11R1.928 NC1(CCSCC1)CC(=O)O CNP0257879.0 [0,1,0,1,0,0|1,0,0]=3 834 B11R1.509 O=S(=O)(O)NC1CCCCC1 CNP0261639.0 [0,1,0,1,0,0|2,0,0]=4 835 B11R1.509 O=S(=O)(O)NC1CCCCC1 CNP0526158.0 [0,1,0,1,0,0|2,0,0]=4 836 B11R1.509 O=S(=O)(O)NC1CCCCC1 CNP0606141.0 [0,1,0,1,0,0|2,0,0]=4 837 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,1,0,1,0,0|2,0,0]=4 838 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,1,0,1,0,0|0,0,0]=2 839 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,1,0,1,0,0|0,0,0]=2 840 B11R1.75 C[S+]([O-])CC[C@H]1CCC(=O)O1 CNP0581959.1 [0,1,0,1,0,0|1,0,0]=3 841 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 CNP0399000.1 [0,1,0,1,0,0|1,0,1]=4 842 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 CNP0399000.2 [0,1,0,1,0,0|1,0,1]=4 843 B11R1.159 C=C(C)C1CCCC(C1C)O CNP0518482.0 [0,1,0,1,0,0|2,0,0]=4 844 B11R1.159 O=C(O)C1NCCC(C1O)O CNP0528572.0 [0,1,0,1,0,0|2,0,0]=4 845 B11R1.266 CO[C@@H]1CCN[C@H](C1)C(=O)O CNP0128045.2 [0,1,0,1,0,0|2,0,0]=4 846 B11R1.266 CO[C@H]1CCN[C@@H](C1)C(=O)O CNP0128045.1 [0,1,0,1,0,0|2,0,0]=4 847 B11R1.313 C[C@H]1[C@@H](CC[C@@H]1C)CC(=O)O CNP0391795.1 [0,1,0,1,0,0|0,0,0]=2 848 B11R1.870 CC[C@@H](O)N1CC[C@H]1C(=O)O CNP0162688.1 [0,1,0,1,0,0|1,0,0]=3 849 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,1,0,1,0,0|1,0,0]=3 850 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,1,0,1,0,0|1,0,0]=3 851 B11R1.40 CCC(=O)CC1CCCCN1 CNP0603150.0 [0,1,0,1,0,0|2,0,0]=4 852 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,1,0,1,0,0|2,0,0]=4 853 B11R1.40 COC(=O)CC1C=CCCC1 CNP0380005.0 [0,1,0,1,0,0|0,0,2]=4 854 B11R1.40 COC(=O)CN1CCNCC1 CNP0582393.0 [0,1,0,1,0,0|2,0,0]=4 855 B11R1.40 N[C@H](CO)CC1CCCCC1 CNP0508776.1 [0,1,0,1,0,0|1,0,1]=4 856 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [0,1,0,1,0,0|0,0,1]=3 857 B11R1.212 CCCCC1=C(C(=O)CC1)O CNP0328452.0 [0,1,0,1,0,0|0,0,1]=3 858 B11R1.228 COC(=O)C[C@@H]1CCCN1C CNP0238623.1 [0,1,0,1,0,0|1,0,0]=3 859 B11R1.35 N[C@H](CC1CCCC1)C(=O)O CNP0066983.1 [0,1,0,1,0,0|0,0,0]=2 860 B11R1.36 C[C@@H](C(=O)O)C1=CCCCC1 CNP0363942.1 [0,1,0,1,0,0|0,0,2]=4 861 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 CNP0535459.2 [0,1,0,1,0,0|0,0,0]=2 862 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 CNP0535459.1 [0,1,0,1,0,0|0,0,0]=2 863 B11R1.36 N[C@H](C(=O)O)[C@@H]1CC=CCC1 CNP0213115.1 [0,1,0,1,0,0|0,0,2]=4 864 B11R1.36 O=C(O)C(O)[C@H]1CC=CCC1 CNP0339850.1 [0,1,0,1,0,0|0,0,2]=4 865 B11R1.520 C[C@@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.4 [0,1,0,1,0,0|0,0,0]=2 866 B11R1.520 C[C@@H]1CCCC[C@]1(N)C(=O)O CNP0518909.1 [0,1,0,1,0,0|0,0,0]=2 867 B11R1.520 C[C@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.2 [0,1,0,1,0,0|0,0,0]=2 868 B11R1.520 C[C@H]1CCCC[C@]1(N)C(=O)O CNP0518909.3 [0,1,0,1,0,0|0,0,0]=2 869 B11R1.737 NC1(CCCCCC1)C(=O)O CNP0306705.0 [0,1,0,1,0,0|0,0,0]=2 870 B11R1.167 CN1CC[C@@H](C[C@H]1C(=O)O)O CNP0239748.2 [0,1,0,1,0,0|1,0,0]=3 871 B11R1.167 CN1CC[C@H](C[C@H]1C(=O)O)O CNP0239748.1 [0,1,0,1,0,0|1,0,0]=3 872 B11R1.182 C/C=C/[C@@H]1OC(=O)CCC1O CNP0605853.1 [0,1,0,1,0,0|0,0,2]=4 873 B11R1.177 CC(=O)C1CCCCC1(C)C CNP0573229.0 [0,1,0,1,0,0|1,0,0]=3 874 B11R1.177 C[N+]1(CCCC[C@H]1C(=O)[O-])C CNP0085576.1 [0,1,0,1,0,0|1,0,1]=4 875 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CNP0339539.1 [0,1,0,1,0,0|1,0,1]=4 876 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O CNP0339539.2 [0,1,0,1,0,0|1,0,1]=4 877 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O CNP0438136.1 [0,1,0,1,0,0|1,0,1]=4 878 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,0,0,2,0,0|1,0,1]=4 879 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,2,0,0|1,0,1]=4 880 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,2,0,0|2,0,0]=4 881 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,2,0,0|2,0,0]=4 882 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|0,0,0]=2 883 B11R2.748 O=C1CCC2(C1)CCCC2 CNP0107580.0 [0,0,0,2,0,0|1,0,0]=3 884 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1C2 CNP0211377.3 [0,0,0,2,0,0|0,0,0]=2 885 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.1 [0,0,0,2,0,0|0,0,0]=2 886 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.2 [0,0,0,2,0,0|0,0,0]=2 887 B11R2.432 CN1[C@@H]2CC[C@@H]1CC(=O)C2 CNP0203544.3 [0,0,0,2,0,0|2,0,0]=4 888 B11R2.432 CN1[C@@H]2CC[C@H]1CC(=O)C2 CNP0203544.2 [0,0,0,2,0,0|2,0,0]=4 889 B11R2.432 CN1[C@H]2CC[C@H]1CC(=O)C2 CNP0203544.4 [0,0,0,2,0,0|2,0,0]=4