0 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.74 CC#CC#CC=CC(=O)OC CNP0149520.0 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.74 CC=CC#CC=CC(=O)OC CNP0382166.0 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.74 CCCC#CC=CC(=O)OC CNP0126459.0 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,0,0,0,0,0|0,0,4]=4 7 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,0,0,0,0,0|0,0,2]=2 8 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,0,0,0,0,0|0,0,0]=0 9 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,0,0,0,0,0|0,0,2]=2 11 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,0,0,0,0,0|1,0,2]=3 12 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,0,0,0,0,0|0,1,2]=3 13 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,0,0,0,0,0|1,0,3]=4 14 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [1,0,0,0,0,0|0,0,2]=3 18 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [1,0,0,0,0,0|0,0,2]=3 20 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [1,0,0,0,0,0|0,0,2]=3 21 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,0,0,0,0,0|0,0,0]=1 23 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [1,0,0,0,0,0|0,0,0]=1 24 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,0,0,0,0,0|0,0,2]=3 25 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,0,0,0,0,0|1,0,2]=4 27 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,0,0,0,0,0|0,0,2]=3 28 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,0,0,0,0,0|0,0,3]=4 29 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,0,0,0,0,0|0,0,3]=4 30 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,0,0,0,0,0|0,0,3]=4 31 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,0,0,0,0,0|0,0,3]=4 32 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,0,0,0,0,0|0,0,3]=4 33 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,0,0,0,0,0|0,0,3]=4 34 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,0,0,0,0,0|1,0,2]=4 35 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,0,0,0,0,0|1,0,1]=3 36 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,0,0,0,0,0|1,0,2]=4 39 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [1,0,0,0,0,0|1,0,2]=4 40 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,0,0,0,0|1,0,2]=4 41 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,0,0,0,0|1,0,2]=4 42 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,0,0,0,0,0|1,0,0]=2 43 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,0,0,0,0|1,0,1]=3 44 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,0,0,0,0,0|1,0,1]=3 46 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,0,0,0,0,0|0,0,3]=4 53 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,0,0,0,0,0|1,0,2]=4 54 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [1,0,0,0,0,0|0,0,3]=4 55 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [1,0,0,0,0,0|0,0,0]=1 56 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,0,0,0,0,0|1,0,1]=3 58 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,0,0,0,0,0|0,0,1]=2 60 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,0,0,0,0,0|1,0,2]=4 61 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [1,0,0,0,0,0|2,0,1]=4 63 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,1,0,0,0,0|2,0,1]=4 64 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [0,1,0,0,0,0|0,0,2]=3 65 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,1,0,0,0,0|0,0,2]=3 66 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,1,0,0,0,0|0,0,0]=1 67 B11R0.4 CCCCCC=CC(C)CCO CNP0003544.0 [0,1,0,0,0,0|2,0,1]=4 68 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,1,0,0,0,0|2,0,1]=4 69 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,1,0,0,0,0|1,0,2]=4 70 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,1,0,0,0,0|0,0,2]=3 71 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,1,0,0,0,0|2,0,1]=4 72 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,1,0,0,0,0|1,0,1]=3 73 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,1,0,0,0,0|0,0,3]=4 74 B11R0.40 C=CCCCC=CCC(=O)OC CNP0572921.0 [0,1,0,0,0,0|0,0,2]=3 75 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,1,0,0,0,0|0,0,3]=4 76 B11R0.40 CCC=CCC=CCC(=O)OC CNP0525214.0 [0,1,0,0,0,0|0,0,2]=3 77 B11R0.40 CCC=CCCC=CC(=O)OC CNP0311960.0 [0,1,0,0,0,0|0,0,1]=2 78 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,1,0,0,0,0|0,0,3]=4 79 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,1,0,0,0,0|0,0,2]=3 80 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,1,0,0,0,0|0,0,0]=1 81 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,1,0,0,0,0|0,0,2]=3 82 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,1,0,0,0,0|0,0,0]=1 83 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,1,0,0,0,0|1,0,2]=4 84 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,1,0,0,0,0|0,0,2]=3 85 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,1,0,0,0,0|1,0,2]=4 86 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,1,0,0,0,0|0,0,2]=3 87 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,1,0,0,0,0|2,0,1]=4 88 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,1,0,0,0,0|2,0,1]=4 89 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [0,1,0,0,0,0|0,0,3]=4 90 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [0,1,0,0,0,0|0,0,2]=3 91 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [0,1,0,0,0,0|2,0,1]=4 92 B11R0.106 CC[C@H](C)/C=C/C=C/C(=O)OC CNP0069809.1 [0,1,0,0,0,0|0,0,2]=3 93 B11R0.142 CC=C(C)C(=O)OCCCCC CNP0541757.0 [0,1,0,0,0,0|3,0,0]=4 94 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [0,1,0,0,0,0|0,0,2]=3 95 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [0,1,0,0,0,0|0,0,2]=3 96 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [0,1,0,0,0,0|0,0,2]=3 97 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [0,1,0,0,0,0|0,0,2]=3 98 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,0,0,1,0,0|1,0,2]=4 99 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,0,0,1,0,0|1,0,1]=3 100 B11R1.25 COC(=O)C=CN1CCCC1 CNP0209325.0 [0,0,0,1,0,0|1,0,0]=2 101 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,0,0,1,0,0|2,0,1]=4 102 B11R1.27 CCCCCC1=COC(=N1)C CNP0262620.0 [0,0,0,1,0,0|2,0,1]=4 103 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,0,0,1,0,0|2,0,1]=4 104 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,0,0,1,0,0|2,0,1]=4 105 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,0,0,1,0,0|2,0,1]=4 106 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [0,0,0,1,0,0|0,0,2]=3 107 B11R1.40 COC(=O)CN1CCNCC1 CNP0582393.0 [0,0,0,1,0,0|2,0,1]=4 108 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,0,1,0,0|0,0,0]=1 109 B11R1.228 COC(=O)C[C@@H]1CCCN1C CNP0238623.1 [0,0,0,1,0,0|1,0,2]=4 110 B8R0.4 C=CC=CCCCCC CNP0389218.0 [2,0,0,0,0,0|0,0,1]=3 111 B8R0.4 CC=C=CCCCCC CNP0555445.0 [2,0,0,0,0,0|0,0,1]=3 112 B8R0.4 CC=CC#CCCCC CNP0343796.0 [2,0,0,0,0,0|0,0,2]=4 113 B8R0.4 CC=CC=CCCCO CNP0492923.0 [2,0,0,0,0,0|1,0,1]=4 114 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [2,0,0,0,0,0|0,0,2]=4 115 B8R0.4 CC=CCCCCCC CNP0241269.0 [2,0,0,0,0,0|0,0,1]=3 116 B8R0.4 CC=CCCCCCO CNP0534658.0 [2,0,0,0,0,0|1,0,1]=4 117 B8R0.4 CC=CSSCCCC CNP0612155.0 [2,0,0,0,0,0|2,0,0]=4 118 B8R0.4 CCC=CCCCCC CNP0539420.0 [2,0,0,0,0,0|0,0,1]=3 119 B8R0.4 CCC=CCCCCO CNP0192139.0 [2,0,0,0,0,0|1,0,1]=4 120 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [2,0,0,0,0,0|0,0,2]=4 121 B8R0.4 CCCC=CCCCC CNP0594829.0 [2,0,0,0,0,0|1,0,1]=4 122 B8R0.4 CCCCC=CCC=O CNP0207183.0 [2,0,0,0,0,0|0,0,2]=4 123 B8R0.4 CCCCC=COC=O CNP0604660.0 [2,0,0,0,0,0|1,0,1]=4 124 B8R0.4 CCCCCC=CC=O CNP0192932.0 [2,0,0,0,0,0|0,0,0]=2 125 B8R0.4 CCCCCC=CCO CNP0113756.0 [2,0,0,0,0,0|0,0,1]=3 126 B8R0.4 CCCCCCC=CO CNP0605778.0 [2,0,0,0,0,0|0,0,1]=3 127 B8R0.4 CCCCCCC=NO CNP0389770.0 [2,0,0,0,0,0|1,0,1]=4 128 B8R0.4 CCCCCCCC=O CNP0146292.0 [2,0,0,0,0,0|0,0,2]=4 129 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [2,0,0,0,0,0|0,0,2]=4 130 B8R0.4 CCCCCCOC=O CNP0086211.0 [2,0,0,0,0,0|1,0,1]=4 131 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [2,0,0,0,0,0|1,0,1]=4 132 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [2,0,0,0,0,0|0,0,2]=4 133 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [2,0,0,0,0,0|0,0,2]=4 135 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [2,0,0,0,0,0|0,0,2]=4 136 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [2,0,0,0,0,0|0,0,2]=4 137 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [2,0,0,0,0,0|0,0,0]=2 138 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [2,0,0,0,0,0|0,0,0]=2 139 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [2,0,0,0,0,0|0,0,2]=4 140 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [2,0,0,0,0,0|1,0,0]=3 141 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [2,0,0,0,0,0|0,0,1]=3 142 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [2,0,0,0,0,0|0,0,1]=3 143 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [2,0,0,0,0,0|1,0,1]=4 144 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [2,0,0,0,0,0|1,0,1]=4 145 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [2,0,0,0,0,0|0,0,1]=3 146 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [2,0,0,0,0,0|1,0,1]=4 147 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [2,0,0,0,0,0|1,0,0]=3 148 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [2,0,0,0,0,0|1,0,1]=4 149 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [2,0,0,0,0,0|1,0,1]=4 150 B8R0.7 COCCCOC(=O)C CNP0076800.0 [2,0,0,0,0,0|2,0,0]=4 151 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [2,0,0,0,0,0|2,0,0]=4 152 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [2,0,0,0,0,0|1,0,1]=4 153 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [2,0,0,0,0,0|1,0,1]=4 154 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [2,0,0,0,0,0|1,0,1]=4 155 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [2,0,0,0,0,0|1,0,1]=4 156 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [2,0,0,0,0,0|0,0,2]=4 157 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [2,0,0,0,0,0|0,0,2]=4 158 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [2,0,0,0,0,0|1,0,0]=3 159 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [2,0,0,0,0,0|0,0,0]=2 160 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [2,0,0,0,0,0|1,0,0]=3 161 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [2,0,0,0,0,0|2,0,0]=4 162 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [2,0,0,0,0,0|0,0,0]=2 163 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [2,0,0,0,0,0|0,1,0]=3 164 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [2,0,0,0,0,0|2,0,0]=4 165 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [2,0,0,0,0,0|1,0,0]=3 166 B8R0.6 COC(=O)CCCSC CNP0313998.0 [2,0,0,0,0,0|1,0,0]=3 167 B8R0.6 COCCCC(=O)OC CNP0580088.0 [2,0,0,0,0,0|1,0,0]=3 168 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [1,1,0,0,0,0|1,0,1]=4 169 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [1,1,0,0,0,0|0,0,2]=4 170 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [1,1,0,0,0,0|0,0,2]=4 171 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [1,1,0,0,0,0|0,0,1]=3 172 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [1,1,0,0,0,0|0,0,1]=3 173 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [1,1,0,0,0,0|0,0,2]=4 174 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [1,1,0,0,0,0|0,0,2]=4 175 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [1,1,0,0,0,0|1,0,0]=3 176 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,1,0,0,0,0|0,0,0]=2 177 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [1,1,0,0,0,0|0,0,0]=2 178 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,1,0,0,0,0|0,0,0]=2 179 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [1,1,0,0,0,0|1,0,0]=3 180 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [1,1,0,0,0,0|1,0,0]=3 181 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,1,0,0,0,0|0,0,0]=2 182 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [1,1,0,0,0,0|0,0,2]=4 183 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [1,1,0,0,0,0|0,0,2]=4 184 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,1,0,0,0,0|0,0,2]=4 185 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,1,0,0,0,0|0,0,2]=4 186 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [1,1,0,0,0,0|1,0,1]=4 187 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,1,0,0,0,0|0,0,2]=4 188 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,1,0,0,0,0|0,0,2]=4 189 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,1,0,0,0,0|0,0,2]=4 190 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [1,1,0,0,0,0|1,0,0]=3 191 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [1,1,0,0,0,0|0,0,1]=3 192 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [1,1,0,0,0,0|0,0,2]=4 193 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [1,1,0,0,0,0|0,0,2]=4 194 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [1,1,0,0,0,0|1,0,1]=4 195 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [1,1,0,0,0,0|0,0,2]=4 196 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [1,1,0,0,0,0|1,0,1]=4 197 B10R0.55 CCC(=O)CCC=CC(=O)C CNP0534993.0 [1,1,0,0,0,0|0,0,1]=3 198 B10R0.55 CC[C@H](C)/C=C/C=C/C(=O)O CNP0204010.1 [1,1,0,0,0,0|0,0,2]=4 199 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [1,1,0,0,0,0|0,0,2]=4 200 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [1,1,0,0,0,0|0,0,1]=3 201 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [1,1,0,0,0,0|0,0,2]=4 202 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [1,1,0,0,0,0|0,0,2]=4 203 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [1,1,0,0,0,0|0,0,2]=4 204 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [1,1,0,0,0,0|0,0,2]=4 205 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [1,1,0,0,0,0|0,0,2]=4 206 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [1,1,0,0,0,0|1,0,1]=4 207 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [1,1,0,0,0,0|0,0,1]=3 208 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [1,1,0,0,0,0|0,0,2]=4 209 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [1,1,0,0,0,0|0,0,2]=4 210 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [1,1,0,0,0,0|0,0,2]=4 211 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [1,1,0,0,0,0|0,0,0]=2 212 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [1,1,0,0,0,0|0,0,2]=4 213 B10R0.1 CCCC=CCC(C)CCC CNP0147977.0 [1,1,0,0,0,0|1,0,1]=4 214 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,1,0,0,0,0|1,0,1]=4 215 B10R0.71 CCC#CC=CCCCCC CNP0109430.0 [1,1,0,0,0,0|1,0,1]=4 216 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,1,0,0,0,0|1,0,1]=4 217 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,1,0,0,0,0|1,0,1]=4 218 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [1,1,0,0,0,0|1,0,1]=4 219 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [1,1,0,0,0,0|1,0,1]=4 220 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [1,1,0,0,0,0|1,0,1]=4 221 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [1,1,0,0,0,0|1,0,1]=4 222 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [1,1,0,0,0,0|1,0,0]=3 223 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [1,1,0,0,0,0|1,0,1]=4 224 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,1,0,0,0,0|1,0,1]=4 225 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [1,1,0,0,0,0|1,0,0]=3 226 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [1,1,0,0,0,0|2,0,0]=4 227 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [1,1,0,0,0,0|2,0,0]=4 228 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [1,1,0,0,0,0|0,0,1]=3 229 B10R0.59 CC/C(=C/CC[C@@H](O)CC)/C CNP0213896.1 [1,1,0,0,0,0|2,0,0]=4 230 B10R0.59 CC/C(=C/CC[C@H](O)CC)/C CNP0213896.2 [1,1,0,0,0,0|2,0,0]=4 231 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [1,1,0,0,0,0|2,0,0]=4 232 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [1,1,0,0,0,0|1,0,1]=4 233 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [1,1,0,0,0,0|1,0,1]=4 234 B12R0.1 CCC=CCCC=CC(=O)NCC CNP0190777.0 [0,2,0,0,0,0|1,0,1]=4 235 B12R0.1 CCCCCC=CCC(=O)OCC CNP0584413.0 [0,2,0,0,0,0|0,0,0]=2 236 B12R0.1 CCCCCCC#CC(=O)OCC CNP0031634.0 [0,2,0,0,0,0|0,0,2]=4 237 B12R0.1 CCCCCCC=CC(=O)OCC CNP0307887.0 [0,2,0,0,0,0|0,0,0]=2 238 B12R0.1 CCCCCCCCC(=O)OCC CNP0255123.0 [0,2,0,0,0,0|0,0,2]=4 239 B12R0.4 CCCCCC=CC(=O)NC(C)C CNP0179463.0 [0,2,0,0,0,0|1,0,0]=3 240 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,2,0,0,0,0|0,0,2]=4 241 B12R0.49 CCCCCCCC(=O)C(=O)OC CNP0530649.0 [0,2,0,0,0,0|0,0,1]=3 242 B12R0.101 CCCC[C@@H](C)CCC(=O)OCC CNP0177367.1 [0,2,0,0,0,0|0,0,2]=4 243 B12R0.114 CCCCCC[C@@H](O)C(=O)OCC CNP0292543.1 [0,2,0,0,0,0|0,0,2]=4 244 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [0,2,0,0,0,0|0,0,2]=4 245 B12R0.206 CCCCCCCC(=O)OCCC CNP0248076.0 [0,2,0,0,0,0|0,0,2]=4 246 B12R0.239 CCCCC[C@@H](O)CC(=O)OCC CNP0379134.1 [0,2,0,0,0,0|0,0,2]=4 247 B12R0.239 CCCCOC(=O)CC(=O)OCC CNP0203043.0 [0,2,0,0,0,0|1,0,1]=4 248 B12R0.276 CCOC(=O)CCCC[C@@H](C)CC CNP0170449.1 [0,2,0,0,0,0|0,0,2]=4 249 B12R0.277 CCOC(=O)/C=C/CCC[C@H](C)O CNP0117476.1 [0,2,0,0,0,0|0,0,0]=2 250 B12R0.113 CCCCCC[C@@H](O)CC(=O)OC CNP0110177.2 [0,2,0,0,0,0|0,0,2]=4 251 B12R0.113 CCCCCC[C@H](O)CC(=O)OC CNP0110177.1 [0,2,0,0,0,0|0,0,2]=4 252 B12R0.142 CCCCCC(=O)CCC(=O)OC CNP0204894.0 [0,2,0,0,0,0|0,0,1]=3 253 B12R0.142 CCCCOC(=O)CCC(=O)OC CNP0325407.0 [0,2,0,0,0,0|1,0,1]=4 254 B12R0.184 COC(=O)CCCCCCC(C)C CNP0053571.0 [0,2,0,0,0,0|0,0,2]=4 255 B12R0.184 COC(=O)CCCCCC[C@@H](C)O CNP0200547.1 [0,2,0,0,0,0|0,0,2]=4 256 B12R0.248 C#CCCCCCCCC(=O)OC CNP0179424.0 [0,2,0,0,0,0|0,0,2]=4 257 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,2,0,0,0,0|0,0,2]=4 258 B12R0.248 CC=CCCC=CCCC(=O)OC CNP0178350.0 [0,2,0,0,0,0|0,0,2]=4 259 B12R0.248 CCC=CCC=CC=CC(=O)OC CNP0018410.0 [0,2,0,0,0,0|0,0,2]=4 260 B12R0.248 CCCC#CC#CC=CC(=O)OC CNP0174608.0 [0,2,0,0,0,0|0,0,2]=4 261 B12R0.248 CCCC=CC#CC=CC(=O)OC CNP0320409.0 [0,2,0,0,0,0|0,0,2]=4 262 B12R0.248 CCCC=CC=CC=CC(=O)OC CNP0248466.0 [0,2,0,0,0,0|0,0,2]=4 263 B12R0.248 CCCCCC=CC=CC(=O)OC CNP0149314.0 [0,2,0,0,0,0|0,0,0]=2 264 B12R0.248 CCCCCC=CCCC(=O)OC CNP0112743.0 [0,2,0,0,0,0|0,0,0]=2 265 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,2,0,0,0,0|0,0,0]=2 266 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,2,0,0,0,0|0,0,2]=4 267 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,2,0,0,0,0|0,0,2]=4 268 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,2,0,0,0,0|0,0,2]=4 269 B12R0.134 CCCCC(C)C=C(C)C(=O)CC CNP0310849.0 [0,2,0,0,0,0|1,0,0]=3 270 B12R0.189 COC(=O)C=CC(=O)NCC(C)C CNP0534778.0 [0,2,0,0,0,0|1,0,1]=4 271 B12R0.156 CCC(C)CCCC(C)C(=O)OC CNP0310637.0 [0,2,0,0,0,0|0,0,2]=4 272 B12R0.240 COC(=O)C=C(C)CCC=C(C)C CNP0141739.0 [0,2,0,0,0,0|0,0,2]=4 273 B12R0.241 COC(=O)/C=C/C[C@H](O)C[C@@H](C)O CNP0149068.1 [0,2,0,0,0,0|0,0,0]=2 274 B12R0.241 COC(=O)/C=C\C[C@@H](O)C[C@H](C)O CNP0149068.2 [0,2,0,0,0,0|0,0,0]=2 275 B12R0.241 COC(=O)CCC[C@H](O)C[C@H](C)O CNP0113421.1 [0,2,0,0,0,0|0,0,2]=4 276 B12R0.68 CCCC(O)CC(=O)CC(=O)OC CNP0335035.0 [0,2,0,0,0,0|0,0,1]=3 277 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,0,0,1,0,0|0,0,2]=4 278 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [1,0,0,1,0,0|0,0,2]=4 279 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [1,0,0,1,0,0|0,0,0]=2 280 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [1,0,0,1,0,0|0,0,0]=2 281 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [1,0,0,1,0,0|1,0,1]=4 282 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [1,0,0,1,0,0|0,0,2]=4 283 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [1,0,0,1,0,0|0,0,2]=4 284 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [1,0,0,1,0,0|1,0,1]=4 285 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [1,0,0,1,0,0|0,0,2]=4 286 B10R1.64 CC(=O)C=C1CCCN1C CNP0145277.0 [1,0,0,1,0,0|1,0,0]=3 287 B10R1.66 NC(=O)/C=C/[C@@H]1CCCN1 CNP0509726.1 [1,0,0,1,0,0|2,0,0]=4 288 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [1,0,0,1,0,0|0,0,2]=4 289 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [1,0,0,1,0,0|0,0,2]=4 290 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [1,0,0,1,0,0|1,0,1]=4 291 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [1,0,0,1,0,0|1,0,1]=4 292 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [1,0,0,1,0,0|1,0,1]=4 293 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [1,0,0,1,0,0|2,0,0]=4 294 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [1,0,0,1,0,0|2,0,0]=4 295 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [1,0,0,1,0,0|1,0,1]=4 296 B10R1.15 CCC(=O)C1=CCCCN1 CNP0358060.0 [1,0,0,1,0,0|2,0,0]=4 297 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [1,0,0,1,0,0|1,0,1]=4 298 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [1,0,0,1,0,0|1,0,0]=3 299 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [1,0,0,1,0,0|0,0,2]=4 300 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [1,0,0,1,0,0|0,0,1]=3 301 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [1,0,0,1,0,0|1,0,1]=4 302 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [1,0,0,1,0,0|1,0,1]=4 303 B10R1.206 COC(=O)/C=C/[C@@H]1O[C@@H]1C CNP0362787.1 [1,0,0,1,0,0|1,0,0]=3 304 B10R1.206 COC(=O)/C=C/[C@@H]1O[C@H]1C CNP0362787.4 [1,0,0,1,0,0|1,0,0]=3 305 B10R1.206 COC(=O)/C=C/[C@H]1O[C@@H]1C CNP0362787.2 [1,0,0,1,0,0|1,0,0]=3 306 B10R1.206 COC(=O)/C=C/[C@H]1O[C@H]1C CNP0362787.3 [1,0,0,1,0,0|1,0,0]=3 307 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,1,0,1,0,0|1,0,1]=4 308 B12R1.32 CCOC(=O)CC1CCCCC1 CNP0076528.0 [0,1,0,1,0,0|0,0,2]=4 309 B12R1.51 CCOC(=O)C=CN1CCCC1 CNP0039494.0 [0,1,0,1,0,0|1,0,0]=3 310 B12R1.69 CCCCC1=C(OC(=O)C=C1)C CNP0332727.0 [0,1,0,1,0,0|0,0,1]=3 311 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,1,0,1,0,0|0,0,2]=4 312 B12R1.141 C[C@H]1CCC/C=C/C=C\C(=O)O1 CNP0395842.1 [0,1,0,1,0,0|0,0,2]=4 313 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,1,0,1,0,0|0,0,2]=4 314 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|0,0,0]=2 315 B12R1.348 CCCC[C@H]1C=CC(=O)C=CC1 CNP0431580.1 [0,1,0,1,0,0|1,0,0]=3 316 B12R1.1 CCCCCC1=COC(=O)C=C1 CNP0537996.0 [0,1,0,1,0,0|0,0,1]=3 317 B12R1.1 CCCCCC1COC(=O)CO1 CNP0556018.0 [0,1,0,1,0,0|0,0,2]=4 318 B12R1.455 CCCCCC1=NC(=CS1)CC CNP0126161.0 [0,1,0,1,0,0|2,0,0]=4 319 B12R1.527 CCCCCC1=C(C(=O)CC1)O CNP0260422.0 [0,1,0,1,0,0|1,0,0]=3 320 B12R1.105 CC(C)CCCC1=CC(=O)OC1 CNP0313975.0 [0,1,0,1,0,0|0,0,0]=2 321 B12R1.468 COC(=O)C(=O)C1=C(CCC1)O CNP0456203.0 [0,1,0,1,0,0|1,0,1]=4 322 B12R1.15 COC(=O)C=C(C)N1CCCC1 CNP0027503.0 [0,1,0,1,0,0|1,0,0]=3 323 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,2,0,0|1,0,0]=3 324 B12R2.24 O=C1C=CC2=C(O1)CCCC2 CNP0079762.0 [0,0,0,2,0,0|0,0,2]=4 325 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,2,0,0|0,0,2]=4 326 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,2,0,0|0,0,2]=4 327 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,2,0,0|0,0,2]=4 328 B12R2.6 O=C1C=C(CN1)N2CCCC2 CNP0496208.0 [0,0,0,2,0,0|2,0,0]=4 329 B12R2.586 O=C1CCC2=C1NCCCC2 CNP0002630.0 [0,0,0,2,0,0|2,0,0]=4