0 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [0,0,0,0,0,0|0,0,4]=4 7 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,0,0,0,0,0|0,0,4]=4 10 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,0,0,0,0,0|0,0,2]=2 12 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,0,0,0,0,0|0,0,2]=2 14 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [0,0,0,0,0,0|1,0,3]=4 16 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,0,0,0,0,0|1,0,2]=3 17 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,0,0,0,0,0|1,0,2]=3 18 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,0,0,0,0,0|1,0,2]=3 19 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,0,0,0,0,0|0,0,2]=2 20 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,0,0,0,0,0|1,0,3]=4 21 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,0,0,0,0,0|1,0,0]=1 22 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,0,0,0,0,0|1,0,0]=1 23 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,0,0,0,0,0|1,0,0]=1 24 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,0,0,0,0,0|0,0,0]=0 25 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,0,0,0,0,0|2,0,1]=3 26 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,0,0,0,0,0|1,0,1]=2 27 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,0,0,0,0,0|1,0,1]=2 28 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [0,0,0,0,0,0|2,0,1]=3 29 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [0,0,0,0,0,0|2,0,1]=3 30 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,0,0,0,0,0|2,0,0]=2 31 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,0,0,0,0,0|3,0,0]=3 32 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.4 CSCCCCCNC(=N)S CNP0609535.0 [0,0,0,0,0,0|3,1,0]=4 34 B10R0.4 CSCCCCCNC(=S)N CNP0380600.0 [0,0,0,0,0,0|3,1,0]=4 35 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,0,0,0,0,0|1,0,0]=1 37 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,0,0,0,0,0|2,0,0]=2 38 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,0,0,0,0,0|2,0,0]=2 39 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,0,0,0,0,0|1,0,0]=1 40 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,0,0,0,0,0|1,0,0]=1 41 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [1,0,0,0,0,0|1,0,2]=4 42 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,0,0,0,0,0|2,0,0]=3 43 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [1,0,0,0,0,0|0,0,2]=3 45 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [1,0,0,0,0,0|1,0,2]=4 46 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [1,0,0,0,0,0|0,0,2]=3 47 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [1,0,0,0,0,0|0,0,2]=3 48 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,0,0,0,0,0|1,0,2]=4 49 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [1,0,0,0,0,0|0,0,2]=3 50 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,0,0,0,0,0|1,0,0]=2 51 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,0,0,0,0,0|1,0,0]=2 52 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,0,0,0,0,0|1,0,0]=2 53 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,0,0,0,0,0|0,0,0]=1 54 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,0,0,0,0,0|0,0,1]=2 55 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,0,0,0,0,0|0,0,1]=2 56 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,0,0,0,0,0|0,0,1]=2 57 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,0,0,0,0,0|0,0,1]=2 58 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,0,0,0,0,0|0,0,1]=2 59 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,0,0,0,0,0|0,0,1]=2 60 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,0,0,0,0,0|1,0,1]=3 62 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,0,0,0,0,0|1,0,1]=3 63 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,0,0,0,0,0|1,0,0]=2 64 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [1,0,0,0,0,0|1,0,1]=3 65 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,0,0,0,0,0|2,0,0]=3 66 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,0,0,0,0,0|1,0,0]=2 67 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [1,0,0,0,0,0|2,0,0]=3 68 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,0,0,0,0,0|1,0,0]=2 69 B9R0.45 C#CCCCCCCCC CNP0272182.0 [1,0,0,0,0,0|1,0,1]=3 70 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,0,0,0,0|1,0,2]=4 71 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [1,0,0,0,0,0|1,0,2]=4 72 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,0,0,0,0,0|1,0,0]=2 73 B9R0.45 C=CCCCCCCCO CNP0326407.0 [1,0,0,0,0,0|2,0,0]=3 74 B9R0.45 CC#CCCCCCCC CNP0076890.0 [1,0,0,0,0,0|1,0,2]=4 75 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,0,0,0,0,0|0,0,2]=3 76 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,0,0,0,0,0|0,0,3]=4 77 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,0,0,0,0,0|0,0,2]=3 78 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,0,0,0,0,0|0,0,2]=3 79 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,0,0,0,0,0|0,0,3]=4 80 B9R0.45 CCCCCCC#CCO CNP0485953.0 [1,0,0,0,0,0|0,0,3]=4 81 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,0,0,0,0|0,0,2]=3 82 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,0,0,0,0,0|0,0,3]=4 83 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,0,0,0,0,0|0,0,2]=3 84 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,0,0,0,0,0|0,0,1]=2 85 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,0,0,0,0,0|1,0,1]=3 86 B9R0.45 CCCCCCCCC#N CNP0309769.0 [1,0,0,0,0,0|1,0,1]=3 87 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,0,0,0,0,0|0,0,0]=1 88 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,0,0,0,0,0|1,0,1]=3 89 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,0,0,0,0,0|1,0,1]=3 90 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,0,0,0,0,0|0,0,1]=2 91 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,0,0,0,0,0|1,0,0]=2 93 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,0,0,0,0,0|1,0,0]=2 94 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.45 CCCCOCCCCO CNP0571704.0 [1,0,0,0,0,0|1,0,1]=3 98 B9R0.45 CSCCCCCC=NO CNP0405939.0 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.45 CSCCCCCCC#N CNP0328653.0 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.45 NCCCCCCCCN CNP0462737.0 [1,0,0,0,0,0|2,0,1]=4 101 B9R0.45 NCCCNCCCC=O CNP0100864.0 [1,0,0,0,0,0|2,0,0]=3 102 B9R0.45 OCCCCCCCCO CNP0076363.0 [1,0,0,0,0,0|1,0,1]=3 103 B9R0.45 SCCCCCCCCS CNP0058300.0 [1,0,0,0,0,0|1,1,1]=4 104 B11R0.2 CCC/C=C\C[C@@H](N)CC(=O)O CNP0252157.2 [0,1,0,0,0,0|0,0,2]=3 105 B11R0.2 CCC/C=C\C[C@H](N)CC(=O)O CNP0252157.1 [0,1,0,0,0,0|0,0,2]=3 106 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [0,1,0,0,0,0|0,0,2]=3 107 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [0,1,0,0,0,0|2,0,1]=4 108 B11R0.2 CCCCCCC(C)CC(C)C CNP0576324.0 [0,1,0,0,0,0|2,0,1]=4 109 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [0,1,0,0,0,0|0,0,0]=1 110 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,1,0,0,0,0|2,0,0]=3 111 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [0,1,0,0,0,0|0,0,0]=1 112 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [0,1,0,0,0,0|1,0,0]=2 113 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [0,1,0,0,0,0|1,0,1]=3 114 B11R0.30 CC(C)C=CCCCCC(=O)N CNP0507586.0 [0,1,0,0,0,0|1,0,2]=4 115 B11R0.30 CC(C)C=CCCCCC(=O)O CNP0063333.0 [0,1,0,0,0,0|0,0,2]=3 116 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [0,1,0,0,0,0|0,0,0]=1 117 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [0,1,0,0,0,0|0,0,1]=2 118 B11R0.30 CC(C)CCCCCCC(C)C CNP0502165.0 [0,1,0,0,0,0|2,0,1]=4 119 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,1,0,0,0,0|0,0,0]=1 120 B11R0.30 N=C(N)NCCCCCC(=O)O CNP0526044.0 [0,1,0,0,0,0|2,0,1]=4 121 B11R0.30 NC(=O)CCCCCCC(=O)N CNP0230952.0 [0,1,0,0,0,0|2,0,1]=4 122 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [0,1,0,0,0,0|1,0,1]=3 123 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl CNP0257088.0 [0,1,0,0,0,0|2,0,1]=4 124 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [0,1,0,0,0,0|1,0,1]=3 125 B11R0.30 O=C(O)CCCCCO[N+](=O)[O-] CNP0534499.0 [0,1,0,0,0,0|3,0,0]=4 126 B11R0.30 O=C(O)CCCNCCC(=O)O CNP0349160.0 [0,1,0,0,0,0|2,0,1]=4 127 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [0,1,0,0,0,0|1,0,1]=3 128 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,1,0,0,0,0|1,0,2]=4 129 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,1,0,0,0,0|0,0,2]=3 130 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,1,0,0,0,0|2,0,0]=3 131 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,1,0,0,0,0|1,0,0]=2 132 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [0,1,0,0,0,0|1,0,1]=3 133 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,1,0,0,0,0|0,0,2]=3 134 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,1,0,0,0,0|0,0,2]=3 135 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,1,0,0,0,0|0,0,2]=3 136 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,1,0,0,0,0|0,0,2]=3 137 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,1,0,0,0,0|0,0,2]=3 138 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,1,0,0,0,0|0,0,2]=3 139 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,1,0,0,0,0|1,0,0]=2 140 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,1,0,0,0,0|0,0,0]=1 141 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,1,0,0,0,0|1,0,1]=3 142 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [0,1,0,0,0,0|0,0,2]=3 143 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [0,1,0,0,0,0|2,0,1]=4 144 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,1,0,0,0,0|2,0,0]=3 145 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,1,0,0,0,0|1,0,0]=2 146 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [0,1,0,0,0,0|0,0,2]=3 147 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [0,1,0,0,0,0|0,0,2]=3 148 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,1,0,0,0,0|1,0,2]=4 149 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,1,0,0,0,0|1,0,0]=2 150 B11R0.42 CCCCCCCC(C)C(C)C CNP0351892.0 [0,1,0,0,0,0|2,0,1]=4 151 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,1,0,0,0,0|0,0,0]=1 152 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,1,0,0,0,0|0,0,0]=1 153 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,1,0,0,0,0|0,0,0]=1 154 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,1,0,0,0,0|0,0,0]=1 155 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [0,1,0,0,0,0|1,0,1]=3 156 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [0,1,0,0,0,0|1,0,0]=2 157 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [0,1,0,0,0,0|1,0,0]=2 158 B11R0.42 NCCCNCC[C@H](N)C(=O)O CNP0485831.1 [0,1,0,0,0,0|2,0,0]=3 159 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [0,1,0,0,0,0|0,0,3]=4 160 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,1,0,0,0,0|1,0,1]=3 161 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,1,0,0,0,0|0,0,1]=2 162 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [0,1,0,0,0,0|1,0,1]=3 163 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,1,0,0,0,0|0,0,0]=1 164 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [0,1,0,0,0,0|0,0,2]=3 165 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [0,1,0,0,0,0|0,0,2]=3 166 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [0,1,0,0,0,0|0,0,2]=3 167 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [0,1,0,0,0,0|0,0,2]=3 168 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [0,1,0,0,0,0|0,0,2]=3 169 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,1,0,0,0,0|2,0,1]=4 170 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [0,1,0,0,0,0|1,0,1]=3 171 B11R0.46 CNCCC[C@@H](C)CNC(=O)C CNP0195159.1 [0,1,0,0,0,0|3,0,0]=4 172 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [0,1,0,0,0,0|1,0,1]=3 173 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [0,1,0,0,0,0|1,0,1]=3 174 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [0,1,0,0,0,0|1,0,1]=3 175 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,1,0,0,0,0|0,0,0]=1 176 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [0,1,0,0,0,0|1,0,1]=3 177 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [0,1,0,0,0,0|2,0,0]=3 178 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,1,0,0,0,0|2,0,0]=3 179 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [0,1,0,0,0,0|0,0,0]=1 180 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,1,0,0,0,0|0,0,1]=2 181 B11R0.148 C#CCCCCCCC[C@H](C)O CNP0216303.1 [0,1,0,0,0,0|1,0,2]=4 182 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,1,0,0,0,0|1,0,1]=3 183 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,1,0,0,0,0|0,0,1]=2 184 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [0,1,0,0,0,0|1,0,2]=4 185 B11R0.148 CC=CCCC=CCCC(=O)O CNP0199986.0 [0,1,0,0,0,0|0,0,3]=4 186 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,1,0,0,0,0|0,0,1]=2 187 B11R0.148 CCC=CC=CCCCC(=O)O CNP0544989.0 [0,1,0,0,0,0|0,0,3]=4 188 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,1,0,0,0,0|0,0,1]=2 189 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,1,0,0,0,0|1,0,2]=4 190 B11R0.148 CCCC#CC#CCCC(=O)O CNP0313003.0 [0,1,0,0,0,0|0,0,3]=4 191 B11R0.148 CCCC/C=C\CCC[C@@H](C)O CNP0328991.1 [0,1,0,0,0,0|1,0,2]=4 192 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,1,0,0,0,0|1,0,1]=3 193 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,1,0,0,0,0|0,0,1]=2 194 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,1,0,0,0,0|0,0,1]=2 195 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [0,1,0,0,0,0|1,0,2]=4 196 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [0,1,0,0,0,0|0,0,3]=4 197 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,1,0,0,0,0|1,0,1]=3 198 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,1,0,0,0,0|0,0,1]=2 199 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,1,0,0,0,0|1,0,2]=4 200 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,1,0,0,0,0|0,0,1]=2 201 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,1,0,0,0,0|1,0,2]=4 202 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,1,0,0,0,0|1,0,1]=3 203 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,1,0,0,0,0|1,0,1]=3 204 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,1,0,0,0,0|0,0,1]=2 205 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,1,0,0,0,0|2,0,0]=3 206 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,1,0,0,0,0|1,0,0]=2 207 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,1,0,0,0,0|1,0,0]=2 208 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,1,0,0,0,0|1,0,0]=2 209 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,1,0,0,0,0|0,0,0]=1 210 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,1,0,0,0,0|0,1,0]=2 211 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,1,0,0,0,0|0,0,1]=2 212 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,1,0,0,0,0|0,0,1]=2 213 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,1,0,0,0,0|0,0,1]=2 214 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,1,0,0,0,0|0,0,1]=2 215 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,1,0,0,0,0|0,0,1]=2 216 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [0,1,0,0,0,0|2,0,1]=4 217 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,1,0,0,0,0|1,0,1]=3 218 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,1,0,0,0,0|1,0,1]=3 219 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,1,0,0,0,0|1,0,0]=2 220 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,1,0,0,0,0|1,0,0]=2 221 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,1,0,0,0,0|1,0,0]=2 222 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,1,0,0,0,0|2,0,0]=3 223 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,1,0,0,0,0|0,0,0]=1 224 B11R0.148 CSCCCCCCNC(=N)S CNP0610239.0 [0,1,0,0,0,0|2,1,0]=4 225 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,1,0,0,0,0|2,0,0]=3 226 B11R0.148 CSCCCCCCNC(=S)N CNP0104929.0 [0,1,0,0,0,0|2,1,0]=4 227 B11R0.148 C[S+]([O-])CCCCCCCCN CNP0583267.0 [0,1,0,0,0,0|2,0,1]=4 228 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,1,0,0,0,0|0,0,0]=1 229 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,1,0,0,0,0|0,0,1]=2 230 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [0,1,0,0,0,0|0,0,2]=3 231 B11R0.176 NC(=O)CCCC[C@@H](S)CCS CNP0083595.1 [0,1,0,0,0,0|2,0,0]=3 232 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,0,0,1,0,0|0,0,0]=1 234 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,0,0,1,0,0|1,0,0]=2 235 B11R1.24 CSCC[C@H]1CCNC(=S)O1 CNP0184861.1 [0,0,0,1,0,0|2,1,0]=4 236 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,0,0,1,0,0|0,0,2]=3 237 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,0,0,1,0,0|0,0,2]=3 238 B11R1.27 CCCCCC1OCC(O1)C CNP0002828.0 [0,0,0,1,0,0|2,0,1]=4 239 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,0,0,1,0,0|0,0,2]=3 240 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,0,0,1,0,0|0,0,0]=1 241 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,0,0,1,0,0|0,0,0]=1 242 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,0,0,1,0,0|0,0,2]=3 243 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [0,0,0,1,0,0|2,0,1]=4 244 B11R1.53 O=NN1CCCCC1C(=O)O CNP0086472.0 [0,0,0,1,0,0|3,0,0]=4 245 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,0,0,1,0,0|2,0,0]=3 246 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,0,0,1,0,0|2,0,0]=3 247 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,0,0,1,0,0|3,0,0]=4 248 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [0,0,0,1,0,0|0,0,2]=3 249 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C CNP0332204.2 [0,0,0,1,0,0|2,0,1]=4 250 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C CNP0332204.1 [0,0,0,1,0,0|2,0,1]=4 251 B11R1.86 N[C@@H]1CCCC=C1CC(=O)O CNP0250203.1 [0,0,0,1,0,0|1,0,2]=4 252 B11R1.91 NC(=O)CC[C@@H]1COCCO1 CNP0061677.2 [0,0,0,1,0,0|3,0,0]=4 253 B11R1.91 NC(=O)CC[C@H]1COCCO1 CNP0061677.1 [0,0,0,1,0,0|3,0,0]=4 254 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,0,0,1,0,0|0,0,0]=1 255 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [0,0,0,1,0,0|2,0,0]=3 256 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [0,0,0,1,0,0|2,0,0]=3 257 B11R1.99 CCCCCCCCC1CC1 CNP0611993.0 [0,0,0,1,0,0|2,0,1]=4 258 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [0,0,0,1,0,0|2,0,1]=4 259 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,0,1,0,0|0,0,2]=3 260 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,0,0,1,0,0|1,0,1]=3 261 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [0,0,0,1,0,0|2,0,1]=4 262 B11R1.191 CCC[C@@H]1CCCC[N+]1(C)C CNP0422167.1 [0,0,0,1,0,0|3,0,0]=4 263 B11R1.191 CCC[C@H]1CCCC[N+]1(C)C CNP0422167.2 [0,0,0,1,0,0|3,0,0]=4 264 B11R1.204 O=C(O)[C@@H]1CCN1CCCO CNP0196381.1 [0,0,0,1,0,0|2,0,0]=3 265 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,0,0,1,0,0|0,0,2]=3 266 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,0,0,1,0,0|0,0,2]=3 267 B11R1.742 CC(O)CN1CCCCCC1 CNP0514501.0 [0,0,0,1,0,0|2,0,1]=4 268 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,0,0,1,0,0|0,0,0]=1 269 B8R0.4 C=CCCCCCC=O CNP0184185.0 [2,0,0,0,0,0|0,0,2]=4 270 B8R0.4 C=CCCCCCCC CNP0317850.0 [2,0,0,0,0,0|0,0,1]=3 271 B8R0.4 C=CCCCCCCO CNP0610530.0 [2,0,0,0,0,0|0,0,2]=4 272 B8R0.4 CC=CCCCCC=O CNP0181844.0 [2,0,0,0,0,0|0,0,2]=4 273 B8R0.4 CC=CCCCCCC CNP0241269.0 [2,0,0,0,0,0|1,0,1]=4 274 B8R0.4 CC=CCCCCCO CNP0534658.0 [2,0,0,0,0,0|0,0,2]=4 275 B8R0.4 CCC=CCCCC=O CNP0002614.0 [2,0,0,0,0,0|0,0,2]=4 276 B8R0.4 CCC=CCCCCO CNP0192139.0 [2,0,0,0,0,0|0,0,2]=4 277 B8R0.4 CCCC=CCCCO CNP0085599.0 [2,0,0,0,0,0|0,0,2]=4 278 B8R0.4 CCCCC=CCC=O CNP0207183.0 [2,0,0,0,0,0|0,0,2]=4 279 B8R0.4 CCCCC=CCCO CNP0221419.0 [2,0,0,0,0,0|0,0,2]=4 280 B8R0.4 CCCCCC=CC=O CNP0192932.0 [2,0,0,0,0,0|0,0,2]=4 281 B8R0.4 CCCCCC=CCO CNP0113756.0 [2,0,0,0,0,0|0,0,2]=4 282 B8R0.4 CCCCCCC=CO CNP0605778.0 [2,0,0,0,0,0|0,0,1]=3 283 B8R0.4 CCCCCCC=NO CNP0389770.0 [2,0,0,0,0,0|1,0,1]=4 284 B8R0.4 CCCCCCCC#N CNP0112630.0 [2,0,0,0,0,0|1,0,1]=4 285 B8R0.4 CCCCCCCC=O CNP0146292.0 [2,0,0,0,0,0|0,0,0]=2 286 B8R0.4 CCCCCCCCC CNP0402619.0 [2,0,0,0,0,0|0,0,1]=3 287 B8R0.4 CCCCCCCCN CNP0065900.0 [2,0,0,0,0,0|1,0,0]=3 288 B8R0.4 CCCCCCCCO CNP0368614.0 [2,0,0,0,0,0|0,0,0]=2 289 B8R0.4 CCCCCCCNC CNP0216624.0 [2,0,0,0,0,0|1,0,1]=4 290 B8R0.4 CCCCCCCOO CNP0566054.0 [2,0,0,0,0,0|1,0,0]=3 291 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [2,0,0,0,0,0|0,0,0]=2 292 B8R0.4 CCCCCCOC=O CNP0086211.0 [2,0,0,0,0,0|1,0,0]=3 293 B8R0.4 CCCCCCOCC CNP0609034.0 [2,0,0,0,0,0|1,0,1]=4 294 B8R0.4 CCCCNCCCC CNP0203128.0 [2,0,0,0,0,0|1,0,1]=4 295 B8R0.4 CCCCOCCCC CNP0077266.0 [2,0,0,0,0,0|1,0,1]=4 296 B8R0.4 CCCCOCCCO CNP0141373.0 [2,0,0,0,0,0|1,0,0]=3 297 B8R0.4 CCCCSCCCC CNP0370059.0 [2,0,0,0,0,0|1,0,1]=4 298 B8R0.4 CCOCCOCCO CNP0079970.0 [2,0,0,0,0,0|2,0,0]=4 299 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [2,0,0,0,0,0|1,0,0]=3 300 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [2,0,0,0,0,0|0,0,2]=4 301 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [2,0,0,0,0,0|0,0,2]=4 302 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [2,0,0,0,0,0|0,0,2]=4 303 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [2,0,0,0,0,0|1,0,1]=4 304 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [2,0,0,0,0,0|1,0,0]=3 305 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [2,0,0,0,0,0|1,0,0]=3 306 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [2,0,0,0,0,0|1,0,0]=3 307 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [2,0,0,0,0,0|0,0,0]=2 308 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [2,0,0,0,0,0|1,0,1]=4 309 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [2,0,0,0,0,0|1,0,1]=4 310 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [2,0,0,0,0,0|1,0,0]=3 311 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [2,0,0,0,0,0|1,0,1]=4 312 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [2,0,0,0,0,0|2,0,0]=4 313 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [2,0,0,0,0,0|1,0,0]=3 314 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [2,0,0,0,0,0|2,0,0]=4 315 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [2,0,0,0,0,0|1,0,0]=3 316 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [2,0,0,0,0,0|1,0,0]=3 317 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [2,0,0,0,0,0|1,0,1]=4 318 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [1,1,0,0,0,0|0,0,1]=3 319 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [1,1,0,0,0,0|2,0,0]=4 320 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [1,1,0,0,0,0|0,0,0]=2 321 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [1,1,0,0,0,0|0,0,1]=3 322 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [1,1,0,0,0,0|0,0,0]=2 323 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [1,1,0,0,0,0|0,0,0]=2 324 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [1,1,0,0,0,0|2,0,0]=4 325 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [1,1,0,0,0,0|0,0,0]=2 326 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [1,1,0,0,0,0|1,0,0]=3 327 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [1,1,0,0,0,0|2,0,0]=4 328 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [1,1,0,0,0,0|2,0,0]=4 329 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [1,1,0,0,0,0|0,0,2]=4 330 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [1,1,0,0,0,0|1,0,1]=4 331 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [1,1,0,0,0,0|0,0,0]=2 332 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [1,1,0,0,0,0|1,0,1]=4 333 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [1,1,0,0,0,0|1,0,0]=3 334 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [1,1,0,0,0,0|1,0,1]=4 335 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [1,1,0,0,0,0|0,0,2]=4 336 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [1,1,0,0,0,0|0,0,2]=4 337 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [1,1,0,0,0,0|0,0,2]=4 338 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [1,1,0,0,0,0|0,0,2]=4 339 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [1,1,0,0,0,0|1,0,0]=3 340 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [1,1,0,0,0,0|1,0,0]=3 341 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [1,1,0,0,0,0|0,0,0]=2 342 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [1,1,0,0,0,0|0,0,0]=2 343 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [1,1,0,0,0,0|0,1,0]=3 344 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [1,1,0,0,0,0|1,0,1]=4 345 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [1,1,0,0,0,0|1,0,1]=4 346 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [1,1,0,0,0,0|1,0,1]=4 347 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [1,1,0,0,0,0|0,0,1]=3 349 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [1,1,0,0,0,0|0,0,0]=2 350 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [1,1,0,0,0,0|0,0,0]=2 351 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [1,1,0,0,0,0|0,0,0]=2 352 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [1,1,0,0,0,0|0,0,0]=2 353 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [1,1,0,0,0,0|0,0,0]=2 354 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [1,1,0,0,0,0|1,0,0]=3 355 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [1,1,0,0,0,0|2,0,0]=4 356 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [1,1,0,0,0,0|1,0,0]=3 357 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [1,1,0,0,0,0|1,0,1]=4 358 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [1,1,0,0,0,0|1,0,0]=3 359 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [1,1,0,0,0,0|1,0,0]=3 360 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [1,1,0,0,0,0|2,0,0]=4 361 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [1,1,0,0,0,0|2,0,0]=4 362 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [1,1,0,0,0,0|1,0,1]=4 363 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [1,1,0,0,0,0|0,0,0]=2 364 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [1,1,0,0,0,0|1,0,0]=3 365 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [1,1,0,0,0,0|1,0,1]=4 366 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [1,1,0,0,0,0|0,0,0]=2 367 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [1,1,0,0,0,0|1,0,1]=4 368 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [1,1,0,0,0,0|0,0,2]=4 369 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [1,1,0,0,0,0|0,0,0]=2 370 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [1,1,0,0,0,0|1,0,1]=4 371 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [1,1,0,0,0,0|0,0,2]=4 372 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [1,1,0,0,0,0|0,0,2]=4 373 B10R0.1 CCCCCC[C@@H](C)NC=O CNP0510552.1 [1,1,0,0,0,0|1,0,0]=3 374 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [1,1,0,0,0,0|1,0,1]=4 375 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [1,1,0,0,0,0|0,0,1]=3 376 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [1,1,0,0,0,0|1,0,1]=4 377 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [1,1,0,0,0,0|0,0,1]=3 378 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [1,1,0,0,0,0|1,0,1]=4 379 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,1,0,0,0,0|1,0,1]=4 380 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [1,1,0,0,0,0|1,0,1]=4 381 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [1,1,0,0,0,0|1,0,1]=4 382 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [1,1,0,0,0,0|0,0,1]=3 383 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,1,0,0,0,0|1,0,0]=3 384 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [1,1,0,0,0,0|1,0,0]=3 385 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,1,0,0,0,0|1,0,1]=4 387 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,1,0,0,0,0|0,0,2]=4 388 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [1,1,0,0,0,0|0,0,1]=3 389 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [1,1,0,0,0,0|0,0,1]=3 390 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [1,1,0,0,0,0|0,0,2]=4 391 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [1,1,0,0,0,0|0,0,1]=3 392 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [1,1,0,0,0,0|0,0,2]=4 393 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,1,0,0,0,0|0,0,2]=4 394 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [1,1,0,0,0,0|0,0,2]=4 395 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,1,0,0,0,0|0,0,1]=3 396 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,1,0,0,0,0|0,0,1]=3 397 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [1,1,0,0,0,0|0,0,0]=2 398 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,1,0,0,0,0|0,0,0]=2 399 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,1,0,0,0,0|1,0,1]=4 400 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,1,0,0,0,0|1,0,1]=4 401 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,1,0,0,0,0|1,0,1]=4 402 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,1,0,0,0,0|0,0,1]=3 403 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,1,0,0,0,0|0,1,1]=4 404 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,1,0,0,0,0|1,0,1]=4 405 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,1,0,0,0,0|0,0,1]=3 406 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,1,0,0,0,0|0,0,0]=2 407 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,1,0,0,0,0|1,0,1]=4 408 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,1,0,0,0,0|1,0,1]=4 409 B10R0.71 CCCCOCCOCCO CNP0079968.0 [1,1,0,0,0,0|1,0,1]=4 410 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [1,1,0,0,0,0|1,0,0]=3 411 B10R0.71 CSCCCCCCCC#N CNP0327429.0 [1,1,0,0,0,0|1,0,1]=4 412 B10R0.71 CSCCCCCCCCN CNP0083876.0 [1,1,0,0,0,0|1,0,1]=4 413 B10R0.71 OCCCCCCCCCO CNP0496013.0 [1,1,0,0,0,0|0,0,1]=3 414 B10R0.71 SCCCCCCCCCS CNP0323084.0 [1,1,0,0,0,0|0,1,1]=4 415 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,1,0,0,0,0|1,0,1]=4 416 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [1,1,0,0,0,0|1,0,0]=3 417 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [1,1,0,0,0,0|0,0,2]=4 418 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [1,1,0,0,0,0|0,0,1]=3 419 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [1,1,0,0,0,0|1,0,1]=4 420 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [1,1,0,0,0,0|0,0,1]=3 421 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [1,1,0,0,0,0|0,0,2]=4 422 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [1,1,0,0,0,0|1,0,1]=4 423 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [1,1,0,0,0,0|0,0,1]=3 424 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [1,1,0,0,0,0|0,0,2]=4 425 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [1,1,0,0,0,0|0,0,0]=2 426 B12R0.4 CCCCC/C=C\[C@H](C)CC(=O)O CNP0187817.1 [0,2,0,0,0,0|0,0,1]=3 427 B12R0.4 CCCCCCC=C(C)CC(=O)O CNP0186143.0 [0,2,0,0,0,0|0,0,1]=3 428 B12R0.4 CCCCCCCC(=O)CC(=O)O CNP0066473.0 [0,2,0,0,0,0|0,0,0]=2 429 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,2,0,0,0,0|1,0,1]=4 430 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O CNP0310989.2 [0,2,0,0,0,0|0,0,0]=2 431 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [0,2,0,0,0,0|1,0,0]=3 432 B12R0.4 CCCCCCC[C@H](O)CC(=O)O CNP0310989.1 [0,2,0,0,0,0|0,0,0]=2 433 B12R0.46 CCCCCC[C@@H](O)[C@@H](N)C(=O)O CNP0009846.1 [0,2,0,0,0,0|0,0,0]=2 434 B12R0.46 CCCCCC[C@@H](O)[C@H](N)C(=O)O CNP0009846.2 [0,2,0,0,0,0|0,0,0]=2 435 B12R0.46 CCCCCC[C@H](O)[C@@H](N)C(=O)O CNP0009846.4 [0,2,0,0,0,0|0,0,0]=2 436 B12R0.46 CCCCCC[C@H](O)[C@H](N)C(=O)O CNP0009846.3 [0,2,0,0,0,0|0,0,0]=2 437 B12R0.113 CCCCCC[C@@H](O)CC(=O)OC CNP0110177.2 [0,2,0,0,0,0|0,0,0]=2 438 B12R0.113 CCCCCC[C@H](O)CC(=O)OC CNP0110177.1 [0,2,0,0,0,0|0,0,0]=2 439 B12R0.141 CCCCOC(=O)C(O)CC(=O)O CNP0479383.0 [0,2,0,0,0,0|1,0,1]=4 440 B12R0.202 C=CC(CCCCCC)CC(=O)O CNP0542211.0 [0,2,0,0,0,0|0,0,0]=2 441 B12R0.202 C=C[C@@H](CCCCCC)OC(=O)C CNP0261053.1 [0,2,0,0,0,0|2,0,0]=4 442 B12R0.270 CC(=O)NCCC[C@H](N)CC(=O)O CNP0542324.1 [0,2,0,0,0,0|1,0,1]=4 443 B12R0.270 C[C@H](CCCCC(=O)O)CC(=O)O CNP0190102.1 [0,2,0,0,0,0|1,0,1]=4 444 B12R0.270 O=C(O)CCCCC(O)CC(=O)O CNP0421145.0 [0,2,0,0,0,0|1,0,1]=4 445 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O CNP0492228.1 [0,2,0,0,0,0|1,0,1]=4 446 B12R0.42 CC(=NCCCCC(N)C(=O)O)N CNP0296493.0 [0,2,0,0,0,0|1,0,1]=4 447 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O CNP0161259.2 [0,2,0,0,0,0|1,0,1]=4 448 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O CNP0161259.1 [0,2,0,0,0,0|1,0,1]=4 449 B12R0.42 C[C@H](N)C(=O)CCCCCC(=O)O CNP0316712.1 [0,2,0,0,0,0|0,0,1]=3 450 B12R0.42 C[C@H](N)[C@H](N)CCCCCC(=O)O CNP0380887.1 [0,2,0,0,0,0|0,0,0]=2 451 B12R0.44 CC(=CCCC(C)CCC(=O)O)C CNP0572331.0 [0,2,0,0,0,0|0,0,2]=4 452 B12R0.44 CC(C)CCC(=O)CCCC(=O)O CNP0222352.0 [0,2,0,0,0,0|0,0,1]=3 453 B12R0.44 CC(C)CCCC(C)CCC(=O)O CNP0161471.0 [0,2,0,0,0,0|0,0,0]=2 454 B12R0.137 CC(C)CCCCCOS(=O)(=O)O CNP0108704.0 [0,2,0,0,0,0|2,0,0]=4 455 B12R0.184 C=CC(=O)OCCCCCC(C)C CNP0578427.0 [0,2,0,0,0,0|2,0,0]=4 456 B12R0.184 C=CC(O)CCCCCCC(=O)O CNP0087002.0 [0,2,0,0,0,0|0,0,1]=3 457 B12R0.184 CC[C@H](C)CCCCCCC(=O)O CNP0206079.1 [0,2,0,0,0,0|0,0,0]=2 458 B12R0.184 COC(=O)CCCCCCC(=O)O CNP0275563.0 [0,2,0,0,0,0|0,0,1]=3 459 B12R0.184 COC(=O)CCCCCCC(C)C CNP0053571.0 [0,2,0,0,0,0|0,0,0]=2 460 B12R0.184 COC(=O)CCCCCC[C@@H](C)O CNP0200547.1 [0,2,0,0,0,0|0,0,0]=2 461 B12R0.184 NCC(=O)CCCCCCC(=O)O CNP0327835.0 [0,2,0,0,0,0|0,0,1]=3 462 B12R0.1 C#CCC(O)CCCCCCCC CNP0483008.0 [0,2,0,0,0,0|1,0,1]=4 463 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,2,0,0,0,0|1,0,0]=3 464 B12R0.1 CCCCCC=CCC(=O)OCC CNP0584413.0 [0,2,0,0,0,0|0,0,2]=4 465 B12R0.1 CCCCCCC#CC(=O)OCC CNP0031634.0 [0,2,0,0,0,0|0,0,2]=4 466 B12R0.1 CCCCCCC=CC(=O)OCC CNP0307887.0 [0,2,0,0,0,0|0,0,2]=4 467 B12R0.1 CCCCCCCCC(=O)OCC CNP0255123.0 [0,2,0,0,0,0|0,0,0]=2 468 B12R0.1 CCCCCCCCC(C)OC=O CNP0539343.0 [0,2,0,0,0,0|1,0,1]=4 469 B12R0.1 CCCCCCCC[S@@+]([O-])CCO CNP0546559.1 [0,2,0,0,0,0|1,0,1]=4 470 B12R0.1 CCCCCCCOC(=O)CCC CNP0077240.0 [0,2,0,0,0,0|2,0,0]=4 471 B12R0.49 CCCCCCCC(=O)C(=O)OC CNP0530649.0 [0,2,0,0,0,0|0,0,1]=3 472 B12R0.57 CCCCCCCCC(OC)OC CNP0339378.0 [0,2,0,0,0,0|0,0,2]=4 473 B12R0.142 CCCCCC(=O)CCC(=O)CO CNP0102753.0 [0,2,0,0,0,0|0,0,1]=3 474 B12R0.142 CCCCCC(=O)CCC(=O)OC CNP0204894.0 [0,2,0,0,0,0|0,0,1]=3 475 B12R0.142 CCCCCC(C)COC(=O)CC CNP0293921.0 [0,2,0,0,0,0|2,0,0]=4 476 B12R0.142 CCCCOC(=O)CCC(=O)OC CNP0325407.0 [0,2,0,0,0,0|1,0,1]=4 477 B12R0.183 COC(=O)CCCCCC(=O)OC CNP0193203.0 [0,2,0,0,0,0|1,0,1]=4 478 B12R0.248 C#CCCCCCCCC(=O)OC CNP0179424.0 [0,2,0,0,0,0|0,0,1]=3 479 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,2,0,0,0,0|1,0,0]=3 480 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,2,0,0,0,0|1,0,0]=3 481 B12R0.248 C=CCCCCCCCC(=O)C=C CNP0268545.0 [0,2,0,0,0,0|1,0,1]=4 482 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,2,0,0,0,0|0,0,1]=3 483 B12R0.248 CCCCCC=CCCC(=O)OC CNP0112743.0 [0,2,0,0,0,0|0,0,1]=3 484 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,2,0,0,0,0|0,0,1]=3 485 B12R0.248 CCCCCCCCCC(=NO)C CNP0318820.0 [0,2,0,0,0,0|1,0,0]=3 486 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,2,0,0,0,0|1,0,0]=3 487 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,2,0,0,0,0|0,0,0]=2 488 B12R0.248 CCCCCCCCC[C@@H](C)C=O CNP0086491.2 [0,2,0,0,0,0|1,0,1]=4 489 B12R0.248 CCCCCCCCC[C@H](C)C=O CNP0086491.1 [0,2,0,0,0,0|1,0,1]=4 490 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,2,0,0,0,0|1,0,0]=3 491 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,2,0,0,0,0|0,0,1]=3 492 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,2,0,0,0,0|0,0,0]=2 493 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [0,2,0,0,0,0|0,0,1]=3 494 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [0,2,0,0,0,0|0,0,0]=2 495 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [0,2,0,0,0,0|1,0,0]=3 496 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O CNP0216159.2 [0,2,0,0,0,0|0,0,0]=2 497 B12R0.251 CCCCCCCC[C@@H](O)C(=O)O CNP0143340.1 [0,2,0,0,0,0|0,0,0]=2 498 B12R0.251 CCCCCCCC[C@H](C)C(=O)O CNP0216159.1 [0,2,0,0,0,0|0,0,0]=2 499 B12R0.251 CCCCCCCOC(=O)C(C)C CNP0272974.0 [0,2,0,0,0,0|2,0,0]=4 500 B12R0.251 CSCCCCCCC(=O)C(=O)O CNP0085458.0 [0,2,0,0,0,0|0,0,1]=3 501 B12R0.251 CSCCCCCC[C@@H](N)C(=O)O CNP0384442.1 [0,2,0,0,0,0|0,0,0]=2 502 B12R0.312 CCCCCCCCC(C)(C)CO CNP0129128.0 [0,2,0,0,0,0|1,0,1]=4 503 B12R0.123 CCCCC[C@@H](C)/C=C(\C)/C(=O)O CNP0357769.1 [0,2,0,0,0,0|0,0,2]=4 504 B12R0.123 CCCCC[C@H](C)C[C@@H](C)C(=O)O CNP0163191.1 [0,2,0,0,0,0|0,0,0]=2 505 B12R0.186 COC(=O)CCCC[C@H](N)C(=O)O CNP0276480.1 [0,2,0,0,0,0|1,0,1]=4 506 B12R0.186 N[C@H](CO)COCC[C@H](N)C(=O)O CNP0332092.1 [0,2,0,0,0,0|2,0,0]=4 507 B12R0.237 CCCCCCCC(C)C(C)(C)O CNP0597220.0 [0,2,0,0,0,0|1,0,1]=4 508 B12R0.279 CCCC(C)CCCC(C)C(=O)O CNP0257263.0 [0,2,0,0,0,0|0,0,0]=2 509 B12R0.255 CCCCCCC(=O)CCC(=O)C CNP0196471.0 [0,2,0,0,0,0|1,0,0]=3 510 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [0,2,0,0,0,0|0,0,0]=2 511 B12R0.255 CCCCCCC(=O)NCC(=O)O CNP0038002.0 [0,2,0,0,0,0|0,0,1]=3 512 B12R0.255 CCCCCCC(C)CC=C(C)C CNP0591018.0 [0,2,0,0,0,0|2,0,0]=4 513 B12R0.255 CCCCCOC(=O)CCC(=O)C CNP0609109.0 [0,2,0,0,0,0|1,0,1]=4 514 B12R0.255 O=C(O)/C=C/[C@H](O)CCCCCO CNP0219480.1 [0,2,0,0,0,0|0,0,2]=4 515 B12R0.645 [2H]C([2H])(CCCC=C)CCC(=O)O CNP0535868.0 [0,2,0,0,0,0|0,0,2]=4 516 B12R0.277 CCCC(Cl)CCCCOC(=O)C CNP0522583.0 [0,2,0,0,0,0|1,0,0]=3 517 B12R0.277 CCC[C@@H](C)CCCCCC(=O)O CNP0194627.1 [0,2,0,0,0,0|0,0,0]=2 518 B12R0.277 CCC[C@@H](N)CCCCCC(=O)O CNP0362333.2 [0,2,0,0,0,0|0,0,0]=2 519 B12R0.277 CCC[C@H](C)CCCCCC(=O)O CNP0194627.2 [0,2,0,0,0,0|0,0,0]=2 520 B12R0.277 CCC[C@H](N)CCCCCC(=O)O CNP0362333.1 [0,2,0,0,0,0|0,0,0]=2 521 B12R0.277 CCC[C@H](O)CCCCCC(=O)O CNP0317739.1 [0,2,0,0,0,0|0,0,0]=2 522 B12R0.233 C=C(CCCCC)CCCC(=O)O CNP0458205.0 [0,2,0,0,0,0|0,0,0]=2 523 B12R0.233 CCCCCC(=O)CCCC(=O)O CNP0370041.0 [0,2,0,0,0,0|0,0,0]=2 524 B12R0.233 CCCCCC(=O)CCC[C@H](C)O CNP0232035.1 [0,2,0,0,0,0|1,0,1]=4 525 B12R0.233 CCCCC[C@H](O)CCCC(=O)O CNP0114225.1 [0,2,0,0,0,0|0,0,0]=2 526 B12R0.95 CCCC[C@@H](O)C#CCCC(=O)O CNP0253343.2 [0,2,0,0,0,0|0,0,1]=3 527 B12R0.95 CCCC[C@H](O)C#CCCC(=O)O CNP0253343.1 [0,2,0,0,0,0|0,0,1]=3 528 B12R0.95 CCCC[C@H](O)CCCCC(=O)O CNP0272139.1 [0,2,0,0,0,0|0,0,0]=2 529 B12R0.119 CCCCCCCCNS(=O)(=O)O CNP0459977.0 [0,2,0,0,0,0|1,0,0]=3 530 B12R0.119 CCCCCCCCOP(=O)(O)O CNP0155776.0 [0,2,0,0,0,0|1,0,0]=3 531 B12R0.119 CCCCCCCCOS(=O)(=O)O CNP0146110.0 [0,2,0,0,0,0|1,0,0]=3 532 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,2,0,0,0,0|0,0,0]=2 533 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,2,0,0,0,0|0,0,0]=2 534 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0516351.0 [0,2,0,0,0,0|0,0,1]=3 535 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0599566.0 [0,2,0,0,0,0|0,0,1]=3 536 B12R0.234 C=CCCCCCCCOC(=O)C CNP0204354.0 [0,2,0,0,0,0|1,0,1]=4 537 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,2,0,0,0,0|0,0,0]=2 538 B12R0.234 CC(=O)NCCCCNCCCN CNP0348437.0 [0,2,0,0,0,0|2,0,0]=4 539 B12R0.234 CC(=O)NCCCNCCCCN CNP0155123.0 [0,2,0,0,0,0|2,0,0]=4 540 B12R0.234 CC=CC#CCCCCCC(=O)O CNP0331359.0 [0,2,0,0,0,0|0,0,2]=4 541 B12R0.234 CC=CCCCCC=CCC(=O)O CNP0101195.0 [0,2,0,0,0,0|0,0,2]=4 542 B12R0.234 CCC=CCCCCCOC(=O)C CNP0503657.0 [0,2,0,0,0,0|1,0,1]=4 543 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,2,0,0,0,0|1,0,0]=3 544 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,2,0,0,0,0|0,0,0]=2 545 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,2,0,0,0,0|1,0,0]=3 546 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,2,0,0,0,0|0,0,0]=2 547 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [0,2,0,0,0,0|0,0,2]=4 548 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [0,2,0,0,0,0|1,0,1]=4 549 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,2,0,0,0,0|1,0,0]=3 550 B12R0.234 COSCCCCCCNC(=O)N CNP0309381.0 [0,2,0,0,0,0|2,0,0]=4 551 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,2,0,0,0,0|0,0,1]=3 552 B12R0.234 O=C(O)CCCCCCC=CCO CNP0316414.0 [0,2,0,0,0,0|0,0,1]=3 553 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,2,0,0,0,0|0,0,0]=2 554 B12R0.234 O=CC=CCCCCCCC(=O)O CNP0212604.0 [0,2,0,0,0,0|0,0,2]=4 555 B12R0.268 CC(=O)CCCCCC=CC(=O)O CNP0240565.0 [0,2,0,0,0,0|0,0,2]=4 556 B12R0.268 CC(=O)CCCCCCCC(C)C CNP0566315.0 [0,2,0,0,0,0|1,0,0]=3 557 B12R0.268 CC(C)CCCCCCCC(=O)O CNP0109886.0 [0,2,0,0,0,0|0,0,0]=2 558 B12R0.268 C[C@@H](O)CCCCCCCC(=O)O CNP0241170.1 [0,2,0,0,0,0|0,0,0]=2 559 B12R0.268 C[C@H](O)CCCCC/C=C/C(=O)O CNP0140668.1 [0,2,0,0,0,0|0,0,1]=3 560 B12R0.268 C[S+]([O-])CCCCCCNC(=O)N CNP0546672.0 [0,2,0,0,0,0|2,0,0]=4 561 B12R0.268 C[S@+]([O-])CCCCCCNC(=O)N CNP0546672.1 [0,2,0,0,0,0|2,0,0]=4 562 B12R0.268 O=C(O)CCCCCCC=C(Br)Br CNP0141349.0 [0,2,0,0,0,0|0,0,2]=4 563 B12R0.268 O=C(O)CCCCCCCC(=O)O CNP0225848.0 [0,2,0,0,0,0|0,0,1]=3 564 B12R0.268 O=C(O)CCCCCCON(O)O CNP0144881.0 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [1,0,0,1,0,0|0,0,0]=2 566 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [1,0,0,1,0,0|0,0,2]=4 567 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [1,0,0,1,0,0|0,0,2]=4 568 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [1,0,0,1,0,0|0,0,2]=4 569 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [1,0,0,1,0,0|2,0,0]=4 570 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [1,0,0,1,0,0|0,0,0]=2 571 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [1,0,0,1,0,0|0,0,0]=2 572 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [1,0,0,1,0,0|2,0,0]=4 573 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [1,0,0,1,0,0|2,0,0]=4 574 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [1,0,0,1,0,0|2,0,0]=4 575 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [1,0,0,1,0,0|2,0,0]=4 576 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [1,0,0,1,0,0|2,0,0]=4 577 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [1,0,0,1,0,0|2,0,0]=4 578 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [1,0,0,1,0,0|0,0,0]=2 579 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [1,0,0,1,0,0|1,0,0]=3 580 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [1,0,0,1,0,0|1,0,0]=3 581 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [1,0,0,1,0,0|2,0,0]=4 582 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [1,0,0,1,0,0|1,0,0]=3 583 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [1,0,0,1,0,0|2,0,0]=4 584 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [1,0,0,1,0,0|2,0,0]=4 585 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [1,0,0,1,0,0|2,0,0]=4 586 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [1,0,0,1,0,0|2,0,0]=4 587 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [1,0,0,1,0,0|1,0,0]=3 588 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [1,0,0,1,0,0|1,0,0]=3 589 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [1,0,0,1,0,0|1,0,0]=3 590 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [1,0,0,1,0,0|2,0,0]=4 591 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [1,0,0,1,0,0|2,0,0]=4 592 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [1,0,0,1,0,0|0,0,0]=2 593 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [1,0,0,1,0,0|1,0,0]=3 594 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [1,0,0,1,0,0|1,0,0]=3 595 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [1,0,0,1,0,0|1,0,1]=4 596 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [1,0,0,1,0,0|1,0,0]=3 597 B10R1.4 CCC[C@@H]1CCCCN1C CNP0256186.1 [1,0,0,1,0,0|2,0,0]=4 598 B10R1.4 CCC[C@H]1CCCCN1C CNP0256186.2 [1,0,0,1,0,0|2,0,0]=4 599 B10R1.4 C[C@@H]1COCC[C@@H]1CCO CNP0154189.2 [1,0,0,1,0,0|1,0,1]=4 600 B10R1.4 C[C@@H]1COCC[C@H]1CCO CNP0154189.4 [1,0,0,1,0,0|1,0,1]=4 601 B10R1.4 C[C@H]1COCC[C@@H]1CCO CNP0154189.1 [1,0,0,1,0,0|1,0,1]=4 602 B10R1.4 C[C@H]1COCC[C@H]1CCO CNP0154189.3 [1,0,0,1,0,0|1,0,1]=4 603 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [1,0,0,1,0,0|1,0,1]=4 604 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [1,0,0,1,0,0|1,0,1]=4 605 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [1,0,0,1,0,0|1,0,1]=4 606 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [1,0,0,1,0,0|0,0,0]=2 607 B10R1.20 O=CN1CCCCC1CO CNP0303118.0 [1,0,0,1,0,0|2,0,0]=4 608 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [1,0,0,1,0,0|1,0,1]=4 609 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [1,0,0,1,0,0|1,0,0]=3 610 B10R1.161 OCC1CCCCCCC1 CNP0085931.0 [1,0,0,1,0,0|0,0,1]=3 611 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [1,0,0,1,0,0|1,0,0]=3 612 B10R1.185 C1CCCCCCCCC1 CNP0529209.0 [1,0,0,1,0,0|1,0,1]=4 613 B12R1.7 CC/C=C\CC[C@@H]1CCC(=O)O1 CNP0155481.1 [0,1,0,1,0,0|0,0,1]=3 614 B12R1.7 CCCC#CC[C@@H]1CCC(=O)O1 CNP0502318.1 [0,1,0,1,0,0|0,0,1]=3 615 B12R1.7 CCCC#CC[C@H]1CCC(=O)O1 CNP0502318.2 [0,1,0,1,0,0|0,0,1]=3 616 B12R1.7 CCCC/C=C/[C@@H]1CCC(=O)O1 CNP0294623.2 [0,1,0,1,0,0|0,0,1]=3 617 B12R1.7 CCCC/C=C\[C@@H]1CCC(=O)O1 CNP0294623.1 [0,1,0,1,0,0|0,0,1]=3 618 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,1,0,1,0,0|0,0,1]=3 619 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,1,0,1,0,0|0,0,0]=2 620 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,1,0,1,0,0|0,0,0]=2 621 B12R1.141 C[C@@H]1CCC/C=C\CCC(=O)O1 CNP0199494.1 [0,1,0,1,0,0|0,0,1]=3 622 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,1,0,1,0,0|0,0,0]=2 623 B12R1.141 C[C@H]1CCC/C=C\CCC(=O)O1 CNP0199494.2 [0,1,0,1,0,0|0,0,1]=3 624 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,1,0,1,0,0|0,0,0]=2 625 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@@H]1O CNP0268314.3 [0,1,0,1,0,0|0,0,0]=2 626 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@H]1O CNP0268314.4 [0,1,0,1,0,0|0,0,0]=2 627 B12R1.456 CCCCC[C@H]1OC(=O)C[C@@H]1O CNP0268314.2 [0,1,0,1,0,0|0,0,0]=2 628 B12R1.456 CCCCC[C@H]1OC(=O)C[C@H]1O CNP0268314.1 [0,1,0,1,0,0|0,0,0]=2 629 B12R1.874 CC(=O)C[C@@H]1CCCCC(=O)C1 CNP0190031.1 [0,1,0,1,0,0|1,0,1]=4 630 B12R1.105 CC(=CCC[C@H]1CCC(=O)O1)C CNP0542275.1 [0,1,0,1,0,0|0,0,2]=4 631 B12R1.261 CC(=O)N1CCCC[C@H]1C(=O)O CNP0518339.1 [0,1,0,1,0,0|1,0,1]=4 632 B12R1.392 CC(=O)CC1OCCC1C(C)C CNP0611355.0 [0,1,0,1,0,0|2,0,0]=4 633 B12R1.1 CCCCCC1CCC(CN1)O CNP0499232.0 [0,1,0,1,0,0|1,0,1]=4 634 B12R1.1 CCCCCC1COC(=O)CO1 CNP0556018.0 [0,1,0,1,0,0|1,0,0]=3 635 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|0,0,1]=3 636 B12R1.371 CCC(=O)C[C@H]1CCCCN1C CNP0321034.1 [0,1,0,1,0,0|2,0,0]=4 637 B12R1.454 CCCCCCC[C@@H]1O[C@@H]1CC CNP0425218.1 [0,1,0,1,0,0|1,0,1]=4 638 B12R1.455 CCCCC[C@H]1CCC(=N1)CC CNP0189691.1 [0,1,0,1,0,0|2,0,0]=4 639 B12R1.527 CCCCCC1=C(C(=O)CC1)O CNP0260422.0 [0,1,0,1,0,0|0,0,1]=3 640 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O CNP0308813.2 [0,1,0,1,0,0|0,0,0]=2 641 B12R1.43 N[C@@H](CN1CCOCC1)C(=O)O CNP0565480.1 [0,1,0,1,0,0|2,0,0]=4 642 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O CNP0308813.1 [0,1,0,1,0,0|0,0,0]=2 643 B12R1.43 N[C@H](CN1CCOCC1)C(=O)O CNP0565480.2 [0,1,0,1,0,0|2,0,0]=4 644 B12R1.279 CCC[C@@H]1C[C@@H](CCO1)C(=O)O CNP0294640.1 [0,1,0,1,0,0|1,0,0]=3 645 B12R1.279 CCC[C@@H]1C[C@H](CCO1)C(=O)O CNP0294640.3 [0,1,0,1,0,0|1,0,0]=3 646 B12R1.279 CCC[C@H]1C[C@@H](CCO1)C(=O)O CNP0294640.4 [0,1,0,1,0,0|1,0,0]=3 647 B12R1.279 CCC[C@H]1C[C@H](CCO1)C(=O)O CNP0294640.2 [0,1,0,1,0,0|1,0,0]=3 648 B12R1.337 CCCC[C@@H]1N[C@@H](CS1)C(=O)O CNP0118000.1 [0,1,0,1,0,0|1,0,0]=3 649 B12R1.368 CC(C=O)[C@@H]1CCC[C@@H]1C(=O)O CNP0000079.1 [0,1,0,1,0,0|1,0,1]=4 650 B12R1.368 CC(C=O)[C@@H]1CCC[C@H]1C(=O)O CNP0000079.2 [0,1,0,1,0,0|1,0,1]=4 651 B12R1.125 NC(=O)CC[C@@H]1CCCCC1=O CNP0046552.1 [0,1,0,1,0,0|1,0,1]=4 652 B12R1.125 NC(=O)CC[C@H]1CCCCC1=O CNP0046552.2 [0,1,0,1,0,0|1,0,1]=4 653 B12R1.125 O=C(O)CC[C@@H]1CCCCC1=O CNP0451054.1 [0,1,0,1,0,0|0,0,1]=3 654 B12R1.125 O=C(O)CC[C@H]1CCCCC1=O CNP0451054.2 [0,1,0,1,0,0|0,0,1]=3 655 B12R1.252 CC(=O)OCCC1CCCCC1 CNP0194126.0 [0,1,0,1,0,0|1,0,0]=3 656 B12R1.252 NC(=O)CCCC1CCCCC1 CNP0606256.0 [0,1,0,1,0,0|1,0,0]=3 657 B12R1.28 CC/C=C/C[C@@H]1CCCC(=O)O1 CNP0270021.2 [0,1,0,1,0,0|0,0,1]=3 658 B12R1.28 CC/C=C\C[C@H]1CCCC(=O)O1 CNP0270021.1 [0,1,0,1,0,0|0,0,1]=3 659 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,1,0,1,0,0|0,0,0]=2 660 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,1,0,0|1,0,1]=4 661 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,1,0,1,0,0|0,0,1]=3 662 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,1,0,1,0,0|0,0,0]=2 663 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,1,0,0|1,0,1]=4 664 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,1,0,1,0,0|0,0,0]=2 665 B12R1.75 NC[C@@H]1CCCC[C@@H]1CC(=O)O CNP0052408.1 [0,1,0,1,0,0|0,0,0]=2 666 B12R1.75 NC[C@@H]1CCCC[C@H]1CC(=O)O CNP0052408.4 [0,1,0,1,0,0|0,0,0]=2 667 B12R1.75 NC[C@H]1CCCC[C@@H]1CC(=O)O CNP0052408.2 [0,1,0,1,0,0|0,0,0]=2 668 B12R1.75 NC[C@H]1CCCC[C@H]1CC(=O)O CNP0052408.3 [0,1,0,1,0,0|0,0,0]=2 669 B12R1.255 NC(=O)CCCC[C@@H]1CCSS1 CNP0415814.1 [0,1,0,1,0,0|2,0,0]=4 670 B12R1.255 NC(=O)CCCC[C@H]1CCSS1 CNP0415814.2 [0,1,0,1,0,0|2,0,0]=4 671 B12R1.255 O=C(O)CCCC[C@@H]1C=CCC1 CNP0267651.1 [0,1,0,1,0,0|0,0,1]=3 672 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 CNP0120491.1 [0,1,0,1,0,0|1,0,0]=3 673 B12R1.255 O=C(O)CCCC[C@H]1C=CCC1 CNP0267651.2 [0,1,0,1,0,0|0,0,1]=3 674 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 CNP0120491.2 [0,1,0,1,0,0|1,0,0]=3 675 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,1,0,1,0,0|0,0,0]=2 676 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,2,0,0|1,0,1]=4 677 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,2,0,0|0,0,0]=2 678 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,0,0,2,0,0|2,0,0]=4 679 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,0,0,2,0,0|2,0,0]=4 680 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,2,0,0|0,0,0]=2 681 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,2,0,0|0,0,0]=2 682 B12R2.203 C[C@@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.1 [0,0,0,2,0,0|2,0,0]=4 683 B12R2.203 C[C@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.2 [0,0,0,2,0,0|2,0,0]=4 684 B12R2.612 C[C@@H]1CC[C@H]2[C@@H]1COC(=O)C2 CNP0210998.1 [0,0,0,2,0,0|2,0,0]=4 685 B12R2.2918 O=C1CCC2(C1)CCCCC2 CNP0541943.0 [0,0,0,2,0,0|1,0,0]=3 686 B12R2.1362 O=C(O)[C@@H]1CCN2[C@@H]1CCC2 CNP0361432.2 [0,0,0,2,0,0|1,0,0]=3 687 B12R2.1362 O=C(O)[C@@H]1CCN2[C@H]1CCC2 CNP0361432.3 [0,0,0,2,0,0|1,0,0]=3 688 B12R2.1362 O=C(O)[C@H]1CCN2[C@@H]1CCC2 CNP0361432.1 [0,0,0,2,0,0|1,0,0]=3 689 B12R2.1362 O=C(O)[C@H]1CCN2[C@H]1CCC2 CNP0361432.4 [0,0,0,2,0,0|1,0,0]=3 690 B12R2.1661 CC(=O)OC1CC2CCC1C2 CNP0499626.0 [0,0,0,2,0,0|2,0,0]=4 691 B12R2.1154 CN1C2CCC[C@@H]1CC(=O)C2 CNP0115646.3 [0,0,0,2,0,0|2,0,0]=4 692 B12R2.1154 CN1[C@@H]2CCC[C@@H]1CC(=O)C2 CNP0115646.2 [0,0,0,2,0,0|2,0,0]=4 693 B12R2.1154 CN1[C@@H]2CCC[C@H]1CC(=O)C2 CNP0115646.1 [0,0,0,2,0,0|2,0,0]=4 694 B12R2.252 O=C(O)C1CC2CCCN2C1 CNP0612034.0 [0,0,0,2,0,0|1,0,0]=3 695 B12R2.229 O=C1CCCC[C@H]2[C@@H]1CCC2 CNP0201109.1 [0,0,0,2,0,0|1,0,0]=3 696 B12R2.434 CC1OC1C2OC2CC(=O)O CNP0181753.0 [0,0,0,2,0,0|2,0,0]=4