0 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,0,0,0,0,0|1,0,3]=4 5 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,0,0,0,0,0|1,0,3]=4 7 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,0,0,0,0,0|1,0,3]=4 8 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,0,0,0,0,0|1,0,2]=3 9 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,0,0,0,0,0|1,0,1]=2 11 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [0,0,0,0,0,0|0,0,4]=4 12 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,0,0,0,0,0|0,0,0]=0 13 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,0,0,0,0,0|1,0,0]=1 14 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,0,0,0,0,0|1,0,0]=1 15 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,0,0,0,0,0|1,0,0]=1 16 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,0,0,0,0,0|0,0,2]=2 17 B10R0.4 CCCCCCC=NN(C)C CNP0085650.0 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,0,0,0,0,0|0,0,2]=2 19 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,0,0,0,0,0|1,0,2]=3 20 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,0,0,0,0,0|1,0,2]=3 21 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,0,0,0,0,0|1,0,2]=3 22 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,0,0,0,0,0|1,0,3]=4 23 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,0,0,0,0,0|0,0,4]=4 24 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,0,0,0,0,0|0,0,4]=4 25 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [0,0,0,0,0,0|1,0,3]=4 26 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [0,0,0,0,0,0|1,0,3]=4 27 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,0,0,0,0,0|1,0,1]=2 28 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,0,0,0,0,0|2,0,1]=3 29 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [1,0,0,0,0,0|0,0,3]=4 33 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,0,0,0,0,0|1,0,1]=3 34 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [1,0,0,0,0,0|2,0,0]=3 35 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [1,0,0,0,0,0|1,0,2]=4 36 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [1,0,0,0,0,0|1,0,2]=4 38 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [1,0,0,0,0,0|1,0,2]=4 39 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [1,0,0,0,0,0|1,0,2]=4 40 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [1,0,0,0,0,0|0,0,3]=4 41 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [1,0,0,0,0,0|1,0,2]=4 42 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [1,0,0,0,0,0|1,0,2]=4 43 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [1,0,0,0,0,0|1,0,1]=3 44 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,0,0,0,0,0|0,0,0]=1 45 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [1,0,0,0,0,0|1,0,0]=2 46 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,0,0,0,0,0|0,0,1]=2 47 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,0,0,0,0,0|1,0,1]=3 48 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,0,0,0,0,0|1,0,1]=3 50 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,0,0,0,0,0|1,0,1]=3 51 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,0,0,0,0,0|1,0,1]=3 52 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,0,0,0,0,0|1,0,1]=3 53 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,0,0,0,0,0|1,0,1]=3 54 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,0,0,0,0,0|1,0,1]=3 55 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,0,0,0,0,0|1,0,1]=3 56 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,0,0,0,0,0|1,0,2]=4 57 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,0,0,0,0,0|0,0,3]=4 58 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,0,0,0,0,0|0,0,3]=4 59 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,0,0,0,0,0|1,0,0]=2 62 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [1,0,0,0,0,0|0,0,2]=3 65 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,0,0,0,0|0,0,3]=4 66 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,0,0,0,0|0,0,1]=2 67 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [1,0,0,0,0,0|0,0,2]=3 68 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,0,0,0,0,0|0,0,3]=4 69 B9R0.45 CC#CCCCCCCC CNP0076890.0 [1,0,0,0,0,0|0,0,3]=4 70 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,0,0,0,0,0|0,0,1]=2 71 B9R0.45 CC=CCSSCCCC CNP0548815.0 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.45 CCC#CCCCCCC CNP0606734.0 [1,0,0,0,0,0|0,0,3]=4 73 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [1,0,0,0,0,0|0,0,2]=3 74 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,0,0,0,0,0|1,0,2]=4 75 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,0,0,0,0|0,0,1]=2 76 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,0,0,0,0,0|1,0,1]=3 77 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,0,0,0,0,0|0,0,3]=4 78 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [1,0,0,0,0,0|0,0,2]=3 79 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,0,0,0,0,0|0,0,2]=3 80 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,0,0,0,0|0,0,0]=1 81 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,0,0,0,0,0|0,0,2]=3 82 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,0,0,0,0,0|0,0,2]=3 83 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,0,0,0,0,0|0,0,2]=3 84 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,0,0,0,0,0|0,0,2]=3 86 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,0,0,0,0,0|0,0,3]=4 87 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,0,0,0,0,0|1,0,2]=4 88 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,0,0,0,0,0|1,0,1]=3 89 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,0,0,0,0,0|1,0,1]=3 90 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,0,0,0,0,0|1,0,2]=4 91 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,0,0,0,0,0|1,0,2]=4 92 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [0,1,0,0,0,0|1,0,1]=3 93 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [0,1,0,0,0,0|1,0,0]=2 94 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [0,1,0,0,0,0|1,0,1]=3 95 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [0,1,0,0,0,0|1,0,2]=4 96 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,1,0,0,0,0|1,0,1]=3 97 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [0,1,0,0,0,0|1,0,2]=4 98 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [0,1,0,0,0,0|0,0,2]=3 99 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [0,1,0,0,0,0|1,0,2]=4 100 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [0,1,0,0,0,0|1,0,2]=4 101 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,1,0,0,0,0|1,0,2]=4 102 B11R0.30 O=C(O)C=CCCCCC(=O)O CNP0084482.0 [0,1,0,0,0,0|2,0,1]=4 103 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,1,0,0,0,0|0,0,1]=2 104 B11R0.40 C#CC(O)C=CCCCCCC CNP0540636.0 [0,1,0,0,0,0|0,0,3]=4 105 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,1,0,0,0,0|1,0,2]=4 106 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,1,0,0,0,0|0,0,3]=4 107 B11R0.40 CCC=CCCC=CC(=O)OC CNP0311960.0 [0,1,0,0,0,0|0,0,2]=3 108 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,1,0,0,0,0|0,0,2]=3 109 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,1,0,0,0,0|0,0,2]=3 110 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,1,0,0,0,0|0,0,0]=1 111 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,1,0,0,0,0|0,0,2]=3 112 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,1,0,0,0,0|0,0,2]=3 113 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,1,0,0,0,0|1,0,1]=3 114 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,1,0,0,0,0|1,0,2]=4 115 B11R0.42 CCC=CCCOC(=O)C(=O)C CNP0380462.0 [0,1,0,0,0,0|1,0,2]=4 116 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,1,0,0,0,0|0,0,0]=1 117 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,1,0,0,0,0|0,0,2]=3 118 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,1,0,0,0,0|1,0,2]=4 119 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,1,0,0,0,0|1,0,2]=4 120 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,1,0,0,0,0|1,0,2]=4 121 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,1,0,0,0,0|1,0,2]=4 122 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,1,0,0,0,0|2,0,1]=4 123 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [0,1,0,0,0,0|2,0,1]=4 124 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [0,1,0,0,0,0|1,0,1]=3 125 B11R0.46 CCCCCC(=O)C=CC(C)C CNP0585991.0 [0,1,0,0,0,0|1,0,2]=4 126 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,1,0,0,0,0|0,0,3]=4 127 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,1,0,0,0,0|1,0,2]=4 128 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [0,1,0,0,0,0|1,0,0]=2 129 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [0,1,0,0,0,0|1,0,0]=2 130 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [0,1,0,0,0,0|1,0,0]=2 131 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [0,1,0,0,0,0|1,0,0]=2 132 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [0,1,0,0,0,0|1,0,0]=2 133 B11R0.46 CNCCC[C@@H](C)CNC(=O)C CNP0195159.1 [0,1,0,0,0,0|2,0,1]=4 134 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,1,0,0,0,0|1,0,2]=4 135 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,1,0,0,0,0|1,0,1]=3 136 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [0,1,0,0,0,0|1,0,2]=4 137 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,1,0,0,0,0|0,0,3]=4 138 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,1,0,0,0,0|1,0,2]=4 139 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,1,0,0,0,0|0,0,3]=4 140 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [0,1,0,0,0,0|1,0,2]=4 141 B11R0.148 CCCCCC=CC=CC(=O)N CNP0278760.0 [0,1,0,0,0,0|1,0,1]=3 142 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [0,1,0,0,0,0|1,0,1]=3 143 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,1,0,0,0,0|0,0,2]=3 144 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,1,0,0,0,0|1,0,2]=4 145 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,1,0,0,0,0|0,0,2]=3 146 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,1,0,0,0,0|1,0,0]=2 147 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,1,0,0,0,0|0,0,0]=1 148 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,1,0,0,0,0|0,0,0]=1 149 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,1,0,0,0,0|1,0,0]=2 150 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,1,0,0,0,0|1,0,0]=2 151 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,1,0,0,0,0|1,0,1]=3 152 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,1,0,0,0,0|0,0,2]=3 153 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,1,0,0,0,0|1,0,2]=4 154 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,1,0,0,0,0|1,0,2]=4 155 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,1,0,0,0,0|1,0,2]=4 156 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,1,0,0,0,0|1,0,2]=4 157 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,1,0,0,0,0|1,0,2]=4 158 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,1,0,0,0,0|1,0,2]=4 159 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,1,0,0,0,0|1,0,2]=4 160 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,1,0,0,0,0|1,0,2]=4 161 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,1,0,0,0,0|1,0,2]=4 162 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,1,0,0,0,0|0,0,2]=3 163 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,1,0,0,0,0|0,0,2]=3 164 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,1,0,0,0,0|0,0,2]=3 165 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,1,0,0,0,0|1,0,1]=3 166 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,1,0,0,0,0|1,0,2]=4 167 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,1,0,0,0,0|2,0,1]=4 168 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,1,0,0,0,0|1,0,2]=4 169 B11R0.176 CCCC(O)C=CC=CC(=O)O CNP0073641.0 [0,1,0,0,0,0|1,0,2]=4 170 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,0,0,1,0,0|1,0,2]=4 172 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,0,0,1,0,0|2,0,1]=4 173 B11R1.27 CC/C=C\C[C@@H]1C=CC(=O)O1 CNP0289992.1 [0,0,0,1,0,0|1,0,2]=4 174 B11R1.27 CC/C=C\C[C@H]1C=CC(=O)O1 CNP0289992.2 [0,0,0,1,0,0|1,0,2]=4 175 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,0,0,1,0,0|1,0,2]=4 176 B11R1.27 CCCCCC1=COC(=N1)C CNP0262620.0 [0,0,0,1,0,0|2,0,1]=4 177 B11R1.27 CCCCCC1=NC(=CO1)C CNP0193931.0 [0,0,0,1,0,0|2,0,1]=4 178 B11R1.27 CCCCCC1=NC(=CS1)C CNP0195745.0 [0,0,0,1,0,0|2,0,1]=4 179 B11R1.27 CCCCCC1=NC=C(S1)C CNP0237358.0 [0,0,0,1,0,0|1,1,1]=4 180 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,0,0,1,0,0|1,0,0]=2 181 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,0,0,1,0,0|1,0,2]=4 182 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,0,0,1,0,0|1,0,2]=4 183 B11R1.53 CC=C1CCCN=C1C(=O)C CNP0002559.0 [0,0,0,1,0,0|1,0,2]=4 184 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,0,0,1,0,0|1,0,2]=4 185 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,0,0,1,0,0|1,0,2]=4 186 B11R1.86 CC(=O)NC1=C(CCCC1)C CNP0186998.0 [0,0,0,1,0,0|1,0,1]=3 187 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,0,0,1,0,0|2,0,1]=4 188 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [0,0,0,1,0,0|1,0,2]=4 189 B11R1.91 O=C(O)C=CC1=CCCCC1 CNP0158200.0 [0,0,0,1,0,0|1,0,2]=4 190 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,0,0,1,0,0|1,0,2]=4 191 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,0,1,0,0|1,0,0]=2 192 B11R1.706 C=C(C)C1C=CCCCCC1 CNP0507387.0 [0,0,0,1,0,0|1,0,2]=4 193 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,0,0,1,0,0|1,0,2]=4 194 B8R0.4 C=CC=CCCCCC CNP0389218.0 [2,0,0,0,0,0|0,0,1]=3 195 B8R0.4 C=CCCCCCCC CNP0317850.0 [2,0,0,0,0,0|0,0,1]=3 196 B8R0.4 C=CCCCCCCO CNP0610530.0 [2,0,0,0,0,0|1,0,1]=4 197 B8R0.4 CC#CCCCCCC CNP0610539.0 [2,0,0,0,0,0|0,0,2]=4 198 B8R0.4 CC=C=CCCCCC CNP0555445.0 [2,0,0,0,0,0|0,0,1]=3 199 B8R0.4 CC=CC#CCCCC CNP0343796.0 [2,0,0,0,0,0|0,0,2]=4 200 B8R0.4 CC=CC=CCCCO CNP0492923.0 [2,0,0,0,0,0|1,0,1]=4 201 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [2,0,0,0,0,0|0,0,2]=4 202 B8R0.4 CC=CCCCCC=O CNP0181844.0 [2,0,0,0,0,0|1,0,1]=4 203 B8R0.4 CC=CCCCCCC CNP0241269.0 [2,0,0,0,0,0|0,0,0]=2 204 B8R0.4 CC=CCCCCCO CNP0534658.0 [2,0,0,0,0,0|1,0,0]=3 205 B8R0.4 CC=CSSCCCC CNP0612155.0 [2,0,0,0,0,0|2,0,0]=4 206 B8R0.4 CCC=CCCCCC CNP0539420.0 [2,0,0,0,0,0|0,0,1]=3 207 B8R0.4 CCC=CCCCCO CNP0192139.0 [2,0,0,0,0,0|1,0,1]=4 208 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [2,0,0,0,0,0|0,0,2]=4 209 B8R0.4 CCCCC=CCC=O CNP0207183.0 [2,0,0,0,0,0|0,0,2]=4 210 B8R0.4 CCCCC=COC=O CNP0604660.0 [2,0,0,0,0,0|1,0,1]=4 211 B8R0.4 CCCCCC=CC=O CNP0192932.0 [2,0,0,0,0,0|0,0,0]=2 212 B8R0.4 CCCCCC=CCO CNP0113756.0 [2,0,0,0,0,0|0,0,2]=4 213 B8R0.4 CCCCCCC=CO CNP0605778.0 [2,0,0,0,0,0|0,0,1]=3 214 B8R0.4 CCCCCCC=NO CNP0389770.0 [2,0,0,0,0,0|1,0,1]=4 215 B8R0.4 CCCCCCCC=O CNP0146292.0 [2,0,0,0,0,0|0,0,1]=3 216 B8R0.4 CCCCCCCCC CNP0402619.0 [2,0,0,0,0,0|0,0,2]=4 217 B8R0.4 CCCCCCCNC CNP0216624.0 [2,0,0,0,0,0|1,0,1]=4 218 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [2,0,0,0,0,0|0,0,1]=3 219 B8R0.4 CCCCCCOC=O CNP0086211.0 [2,0,0,0,0,0|1,0,0]=3 220 B8R0.4 CCCCCCOCC CNP0609034.0 [2,0,0,0,0,0|1,0,1]=4 221 B8R0.4 CCCCCCSSC CNP0510251.0 [2,0,0,0,0,0|2,0,0]=4 222 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [2,0,0,0,0,0|0,0,2]=4 223 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [2,0,0,0,0,0|0,0,2]=4 224 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [2,0,0,0,0,0|0,0,2]=4 225 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [2,0,0,0,0,0|2,0,0]=4 226 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [2,0,0,0,0,0|0,0,2]=4 227 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [2,0,0,0,0,0|0,0,2]=4 228 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [2,0,0,0,0,0|0,0,2]=4 229 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [2,0,0,0,0,0|0,0,2]=4 230 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [2,0,0,0,0,0|0,0,0]=2 231 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [2,0,0,0,0,0|1,0,0]=3 232 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [2,0,0,0,0,0|0,0,2]=4 233 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [2,0,0,0,0,0|1,0,0]=3 234 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [2,0,0,0,0,0|0,0,1]=3 235 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [2,0,0,0,0,0|0,0,0]=2 236 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [2,0,0,0,0,0|1,0,0]=3 237 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [2,0,0,0,0,0|1,0,0]=3 238 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [2,0,0,0,0,0|1,0,0]=3 239 B8R0.7 CCCCCCC(C)C CNP0161146.0 [2,0,0,0,0,0|1,0,1]=4 240 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [2,0,0,0,0,0|1,0,1]=4 241 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [2,0,0,0,0,0|0,0,2]=4 242 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [2,0,0,0,0,0|1,0,1]=4 243 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [2,0,0,0,0,0|0,0,2]=4 244 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [2,0,0,0,0,0|2,0,0]=4 245 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [2,0,0,0,0,0|2,0,0]=4 246 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [2,0,0,0,0,0|1,0,0]=3 247 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [2,0,0,0,0,0|2,0,0]=4 248 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [2,0,0,0,0,0|1,0,0]=3 249 B8R0.7 COCCCOC(=O)C CNP0076800.0 [2,0,0,0,0,0|2,0,0]=4 250 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [2,0,0,0,0,0|2,0,0]=4 251 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [2,0,0,0,0,0|2,0,0]=4 252 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [2,0,0,0,0,0|2,0,0]=4 253 B10R0.3 CC(=CCC[C@@H](C)CCO)C CNP0152105.1 [1,1,0,0,0,0|2,0,0]=4 254 B10R0.3 CC(=CCC[C@H](C)CCO)C CNP0152105.2 [1,1,0,0,0,0|2,0,0]=4 255 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [1,1,0,0,0,0|1,0,0]=3 256 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [1,1,0,0,0,0|1,0,1]=4 257 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [1,1,0,0,0,0|1,0,0]=3 258 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [1,1,0,0,0,0|1,0,1]=4 259 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [1,1,0,0,0,0|1,0,1]=4 260 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [1,1,0,0,0,0|1,0,1]=4 261 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [1,1,0,0,0,0|1,0,0]=3 262 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [1,1,0,0,0,0|1,0,1]=4 263 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [1,1,0,0,0,0|1,0,1]=4 264 B10R0.55 CCC(=O)CCC=CC(=O)C CNP0534993.0 [1,1,0,0,0,0|0,0,1]=3 265 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [1,1,0,0,0,0|1,0,1]=4 266 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [1,1,0,0,0,0|0,0,2]=4 267 B10R0.74 CCCC#CC=CC(=O)OC CNP0126459.0 [1,1,0,0,0,0|0,0,2]=4 268 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [1,1,0,0,0,0|0,0,2]=4 269 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [1,1,0,0,0,0|0,0,0]=2 270 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [1,1,0,0,0,0|0,0,2]=4 271 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [1,1,0,0,0,0|0,0,1]=3 272 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [1,1,0,0,0,0|0,0,1]=3 273 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [1,1,0,0,0,0|1,0,1]=4 274 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [1,1,0,0,0,0|0,0,1]=3 275 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [1,1,0,0,0,0|1,0,0]=3 276 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [1,1,0,0,0,0|1,0,0]=3 277 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [1,1,0,0,0,0|1,0,1]=4 278 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [1,1,0,0,0,0|1,0,1]=4 279 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [1,1,0,0,0,0|1,0,1]=4 280 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [1,1,0,0,0,0|1,0,1]=4 281 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [1,1,0,0,0,0|1,0,1]=4 282 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [1,1,0,0,0,0|2,0,0]=4 283 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [1,1,0,0,0,0|0,0,1]=3 284 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [1,1,0,0,0,0|1,0,1]=4 285 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [1,1,0,0,0,0|0,0,1]=3 286 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [1,1,0,0,0,0|1,0,1]=4 287 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [1,1,0,0,0,0|1,0,0]=3 288 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [1,1,0,0,0,0|1,0,1]=4 289 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [1,1,0,0,0,0|1,0,1]=4 290 B10R0.1 CCCCCC[C@@H](C)NC=O CNP0510552.1 [1,1,0,0,0,0|1,0,1]=4 291 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,1,0,0,0,0|0,0,2]=4 292 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,1,0,0,0,0|0,0,1]=3 293 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [1,1,0,0,0,0|0,0,1]=3 294 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,1,0,0,0,0|0,0,1]=3 295 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,1,0,0,0,0|0,0,1]=3 296 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,1,0,0,0,0|0,0,1]=3 297 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [1,1,0,0,0,0|0,0,1]=3 298 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [1,1,0,0,0,0|1,0,1]=4 299 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [1,1,0,0,0,0|0,0,1]=3 300 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [1,1,0,0,0,0|0,0,1]=3 301 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [1,1,0,0,0,0|0,0,2]=4 302 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,1,0,0,0,0|0,0,1]=3 303 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,1,0,0,0,0|0,0,0]=2 304 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,1,0,0,0,0|0,0,1]=3 305 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,1,0,0,0,0|0,0,2]=4 306 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,1,0,0,0,0|0,0,2]=4 307 B10R0.91 C#CCCCC(O)C=CC=O CNP0350601.0 [1,1,0,0,0,0|0,0,2]=4 308 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [1,1,0,0,0,0|0,0,2]=4 309 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [1,1,0,0,0,0|0,0,1]=3 310 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [1,1,0,0,0,0|0,0,0]=2 311 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [1,1,0,0,0,0|0,0,0]=2 312 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [1,1,0,0,0,0|0,0,2]=4 313 B12R0.4 CCCCCC=CC(=CC(=O)O)C CNP0489537.0 [0,2,0,0,0,0|1,0,1]=4 314 B12R0.4 CCCCCCC=C(C)CC(=O)O CNP0186143.0 [0,2,0,0,0,0|1,0,0]=3 315 B12R0.4 CCCCCCCC(=O)CC(=O)O CNP0066473.0 [0,2,0,0,0,0|1,0,1]=4 316 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,2,0,0,0,0|0,0,1]=3 317 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [0,2,0,0,0,0|0,0,2]=4 318 B12R0.46 CCCCCCC(=O)C(=C(Br)Br)Br CNP0078405.0 [0,2,0,0,0,0|2,0,0]=4 319 B12R0.113 CCCCCC[C@@H](O)CC(=O)OC CNP0110177.2 [0,2,0,0,0,0|0,0,2]=4 320 B12R0.113 CCCCCC[C@H](O)CC(=O)OC CNP0110177.1 [0,2,0,0,0,0|0,0,2]=4 321 B12R0.202 C=C[C@@H](CCCCCC)OC(=O)C CNP0261053.1 [0,2,0,0,0,0|1,0,1]=4 322 B12R0.184 CC[C@H](O)CCC/C=C/OC(=O)C CNP0101505.1 [0,2,0,0,0,0|0,0,0]=2 323 B12R0.184 COC(=O)CCCCCCC(C)C CNP0053571.0 [0,2,0,0,0,0|0,0,2]=4 324 B12R0.184 COC(=O)CCCCCC[C@@H](C)O CNP0200547.1 [0,2,0,0,0,0|0,0,2]=4 325 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,2,0,0,0,0|0,0,2]=4 326 B12R0.1 CCC=CCCC=CC(=O)NCC CNP0190777.0 [0,2,0,0,0,0|0,0,2]=4 327 B12R0.1 CCCCCC=CCC(=O)OCC CNP0584413.0 [0,2,0,0,0,0|0,0,2]=4 328 B12R0.1 CCCCCCC#CC(=O)OCC CNP0031634.0 [0,2,0,0,0,0|0,0,2]=4 329 B12R0.1 CCCCCCC=CC(=O)OCC CNP0307887.0 [0,2,0,0,0,0|0,0,0]=2 330 B12R0.1 CCCCCCCCC(=O)OCC CNP0255123.0 [0,2,0,0,0,0|0,0,2]=4 331 B12R0.1 CCCCCCCOC(=O)CCC CNP0077240.0 [0,2,0,0,0,0|1,0,1]=4 332 B12R0.49 CC=C(C)C(=O)OCCCCCC CNP0081467.0 [0,2,0,0,0,0|2,0,0]=4 333 B12R0.49 CCCCCCCC(=O)C(=O)OC CNP0530649.0 [0,2,0,0,0,0|0,0,1]=3 334 B12R0.142 CCCCCC(C)COC(=O)CC CNP0293921.0 [0,2,0,0,0,0|1,0,1]=4 335 B12R0.248 CCCCCC=CC=CC(=O)OC CNP0149314.0 [0,2,0,0,0,0|0,0,1]=3 336 B12R0.248 CCCCCC=CCCC(=O)OC CNP0112743.0 [0,2,0,0,0,0|0,0,2]=4 337 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,2,0,0,0,0|0,0,0]=2 338 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,2,0,0,0,0|0,0,2]=4 339 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,2,0,0,0,0|0,0,2]=4 340 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,2,0,0,0,0|0,0,2]=4 341 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,2,0,0,0,0|0,0,2]=4 342 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [0,2,0,0,0,0|0,0,1]=3 343 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [0,2,0,0,0,0|1,0,1]=4 344 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [0,2,0,0,0,0|0,0,2]=4 345 B12R0.251 CCCCCCCOC(=O)C(C)C CNP0272974.0 [0,2,0,0,0,0|1,0,1]=4 346 B12R0.251 CSCCCCCCC(=O)C(=O)O CNP0085458.0 [0,2,0,0,0,0|1,0,1]=4 347 B12R0.123 CCCCC[C@@H](C)/C=C(\C)/C(=O)O CNP0357769.1 [0,2,0,0,0,0|1,0,0]=3 348 B12R0.279 C/C(=C\CC[C@@H](C)CCO)/C(=O)O CNP0271457.1 [0,2,0,0,0,0|2,0,0]=4 349 B12R0.279 C/C(=C\CC[C@H](C)CCO)/C(=O)O CNP0271457.2 [0,2,0,0,0,0|2,0,0]=4 350 B12R0.255 CCCCCCC(=O)CCC(=O)C CNP0196471.0 [0,2,0,0,0,0|0,0,1]=3 351 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [0,2,0,0,0,0|1,0,1]=4 352 B12R0.255 CCCCCCC(=O)NCC(=O)O CNP0038002.0 [0,2,0,0,0,0|1,0,1]=4 353 B12R0.255 CCCCCCC(C)CC=C(C)C CNP0591018.0 [0,2,0,0,0,0|1,0,1]=4 354 B12R0.255 CCCCCOC(=O)CCC(=O)C CNP0609109.0 [0,2,0,0,0,0|1,0,1]=4 355 B12R0.255 O=C(O)/C=C/[C@H](O)CCCCCO CNP0219480.1 [0,2,0,0,0,0|1,0,0]=3 356 B12R0.649 CCCCCC(O)C=C[Si](C)(C)C CNP0387895.0 [0,2,0,0,0,0|1,1,0]=4 357 B12R0.277 CCCC(Cl)CCCCOC(=O)C CNP0522583.0 [0,2,0,0,0,0|0,0,2]=4 358 B12R0.95 CCCC[C@@H](O)/C=C/C=C/C(=O)O CNP0078690.2 [0,2,0,0,0,0|1,0,1]=4 359 B12R0.95 CCCC[C@H](O)/C=C/C=C/C(=O)O CNP0078690.1 [0,2,0,0,0,0|1,0,1]=4 360 B12R0.234 C=CCCCCCCCOC(=O)C CNP0204354.0 [0,2,0,0,0,0|1,0,1]=4 361 B12R0.234 CC(=O)NCCCCNCCCN CNP0348437.0 [0,2,0,0,0,0|1,0,1]=4 362 B12R0.234 CC(=O)NCCCNCCCCN CNP0155123.0 [0,2,0,0,0,0|1,0,1]=4 363 B12R0.234 CC=CCCCCC=CCC(=O)O CNP0101195.0 [0,2,0,0,0,0|1,0,1]=4 364 B12R0.234 CCC=CCCC=CCOC(=O)C CNP0241007.0 [0,2,0,0,0,0|0,0,2]=4 365 B12R0.234 CCC=CCCCCCOC(=O)C CNP0503657.0 [0,2,0,0,0,0|1,0,1]=4 366 B12R0.234 CCCCCC/C=C/C=C/[C@H](C)N CNP0115359.1 [0,2,0,0,0,0|1,0,1]=4 367 B12R0.234 CCCCCC/C=C\C=C\[C@H](C)N CNP0115359.2 [0,2,0,0,0,0|1,0,1]=4 368 B12R0.234 CCCCCCC=CC=CC(C)C CNP0218670.0 [0,2,0,0,0,0|1,0,1]=4 369 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,2,0,0,0,0|0,0,0]=2 370 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,2,0,0,0,0|1,0,0]=3 371 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,2,0,0,0,0|0,0,2]=4 372 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,2,0,0,0,0|0,0,2]=4 373 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,2,0,0,0,0|1,0,0]=3 374 B12R0.268 CC(=O)CCCCCC=CC(=O)O CNP0240565.0 [0,2,0,0,0,0|1,0,0]=3 375 B12R0.268 CC(=O)CCCCCCCC(C)C CNP0566315.0 [0,2,0,0,0,0|0,0,2]=4 376 B12R0.268 C[C@@H](O)CCC/C=C/C=C/C(=O)O CNP0351979.1 [0,2,0,0,0,0|1,0,1]=4 377 B12R0.268 C[C@@H](O)CCC/C=C/C=C\C(=O)O CNP0351979.2 [0,2,0,0,0,0|1,0,1]=4 378 B12R0.268 C[C@H](O)CCCCC/C=C/C(=O)O CNP0140668.1 [0,2,0,0,0,0|1,0,0]=3 379 B12R0.268 O=C(O)C=CCCCCCC(=O)O CNP0140769.0 [0,2,0,0,0,0|1,0,1]=4 380 B12R0.224 CCC[C@H](/C=C/C=C/C(=O)C)CO CNP0506394.1 [0,2,0,0,0,0|0,0,2]=4 381 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [1,0,0,1,0,0|1,0,1]=4 382 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [1,0,0,1,0,0|1,0,0]=3 383 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [1,0,0,1,0,0|1,0,0]=3 384 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [1,0,0,1,0,0|1,0,0]=3 385 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [1,0,0,1,0,0|1,0,1]=4 386 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [1,0,0,1,0,0|1,0,1]=4 387 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [1,0,0,1,0,0|1,0,1]=4 388 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [1,0,0,1,0,0|1,0,1]=4 389 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [1,0,0,1,0,0|1,0,0]=3 390 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [1,0,0,1,0,0|1,0,1]=4 391 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [1,0,0,1,0,0|1,0,1]=4 392 B10R1.64 CC(=O)C=C1CCCN1C CNP0145277.0 [1,0,0,1,0,0|1,0,0]=3 393 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [1,0,0,1,0,0|1,0,1]=4 394 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [1,0,0,1,0,0|1,0,1]=4 395 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [1,0,0,1,0,0|2,0,0]=4 396 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [1,0,0,1,0,0|2,0,0]=4 397 B10R1.66 NC(=O)/C=C/[C@@H]1CCCN1 CNP0509726.1 [1,0,0,1,0,0|2,0,0]=4 398 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [1,0,0,1,0,0|0,0,1]=3 399 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [1,0,0,1,0,0|1,0,1]=4 400 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [1,0,0,1,0,0|1,0,1]=4 401 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [1,0,0,1,0,0|1,0,1]=4 402 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [1,0,0,1,0,0|1,0,1]=4 403 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [1,0,0,1,0,0|0,0,2]=4 404 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [1,0,0,1,0,0|0,0,2]=4 405 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [1,0,0,1,0,0|0,1,1]=4 406 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [1,0,0,1,0,0|1,0,1]=4 407 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [1,0,0,1,0,0|0,0,1]=3 408 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,1,0,1,0,0|1,0,0]=3 409 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,1,0,1,0,0|1,0,1]=4 410 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,1,0,1,0,0|1,0,1]=4 411 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,1,0,1,0,0|1,0,1]=4 412 B12R1.141 C[C@H]1CCC/C=C/C=C\C(=O)O1 CNP0395842.1 [0,1,0,1,0,0|1,0,1]=4 413 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,1,0,1,0,0|1,0,1]=4 414 B12R1.1 CCCCCC1=COC(=O)C=C1 CNP0537996.0 [0,1,0,1,0,0|0,0,2]=4 415 B12R1.1 CCCCCC1COC(=O)CO1 CNP0556018.0 [0,1,0,1,0,0|1,0,1]=4 416 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|0,0,0]=2 417 B12R1.348 CCCC[C@H]1C=CC(=O)C=CC1 CNP0431580.1 [0,1,0,1,0,0|0,0,1]=3 418 B12R1.455 CCCCCC1=CC=C(O1)C=O CNP0197928.0 [0,1,0,1,0,0|1,0,1]=4 419 B12R1.43 C=C(C)C(=O)OC1CCCCC1 CNP0086107.0 [0,1,0,1,0,0|2,0,0]=4 420 B12R1.252 CC(=O)OCCC1CCCCC1 CNP0194126.0 [0,1,0,1,0,0|0,0,2]=4 421 B12R1.28 CC/C=C\C[C@@H]1CC=CC(=O)O1 CNP0304703.1 [0,1,0,1,0,0|1,0,1]=4 422 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [0,1,0,1,0,0|1,0,1]=4 423 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,1,0,0|0,0,0]=2 424 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,1,0,1,0,0|1,0,0]=3 425 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,1,0,0|0,0,0]=2 426 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,2,0,0|0,0,0]=2 427 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,2,0,0|1,0,1]=4 428 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,2,0,0|1,0,1]=4 429 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,2,0,0|1,0,1]=4 430 B12R2.203 C[C@@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.1 [0,0,0,2,0,0|1,0,1]=4 431 B12R2.203 C[C@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.2 [0,0,0,2,0,0|1,0,1]=4 432 B12R2.612 C[C@@H]1CC[C@H]2[C@@H]1COC(=O)C2 CNP0210998.1 [0,0,0,2,0,0|1,0,1]=4 433 B12R2.586 O=C1CCC2=C1NCCCC2 CNP0002630.0 [0,0,0,2,0,0|1,0,1]=4 434 B12R2.2918 O=C1CCC2(C1)CCCCC2 CNP0541943.0 [0,0,0,2,0,0|0,0,2]=4 435 B12R2.2028 CC1CC(=O)C2=C1CCCN2 CNP0138638.0 [0,0,0,2,0,0|1,0,1]=4 436 B12R2.1661 CC(=O)OC1CC2CCC1C2 CNP0499626.0 [0,0,0,2,0,0|1,0,1]=4 437 B12R2.229 O=C1CCCC[C@H]2[C@@H]1CCC2 CNP0201109.1 [0,0,0,2,0,0|0,0,2]=4