0 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,0,0,0,0,0|0,0,3]=4 12 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [1,0,0,0,0,0|1,1,1]=4 15 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,0,0,0|0,0,1]=2 17 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.12 NCCCN1C=CCC1 CNP0592244.0 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.15 C/C=C/[C@H](O)C1CCC(=O)O1 CNP0279920.3 [0,1,0,0,0,0|0,0,2]=3 20 B11R1.15 C/C=C/[C@H](O)[C@@H]1CCC(=O)O1 CNP0279920.2 [0,1,0,0,0,0|0,0,2]=3 21 B11R1.15 C/C=C/[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.1 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.15 CC=C[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.4 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CNP0367585.2 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CNP0367585.1 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.27 CC/C=C\C[C@@H]1C=CC(=O)O1 CNP0289992.1 [0,1,0,0,0,0|0,0,3]=4 27 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,1,0,0,0,0|0,0,1]=2 28 B11R1.27 CC/C=C\C[C@H]1C=CC(=O)O1 CNP0289992.2 [0,1,0,0,0,0|0,0,3]=4 29 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,1,0,0,0,0|0,0,2]=3 30 B11R1.27 CCCCCC1OCC(O1)C CNP0002828.0 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,1,0,0,0,0|0,0,2]=3 32 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,1,0,0,0,0|0,0,2]=3 35 B11R1.75 C[S+]([O-])CC[C@H]1CCC(=O)O1 CNP0581959.1 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 CNP0399000.1 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 CNP0399000.2 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.212 CCCCC1=C(C(=O)CC1)O CNP0328452.0 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.231 CCCCC1=NN(C(=O)O1)C CNP0345142.0 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,0,1,0,0,0|1,0,2]=4 45 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,1,0,0,0|2,0,0]=3 46 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,1,0,0,0|3,0,0]=4 47 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,0,1,0,0,0|0,0,2]=3 48 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,1,0,0,0|1,0,2]=4 49 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,0,1,0,0,0|0,0,2]=3 50 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,0,1,0,0,0|0,0,2]=3 51 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,1,0,0,0|1,0,2]=4 52 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,0,1,0,0,0|0,0,2]=3 53 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,1,0,0,0|1,0,0]=2 54 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,1,0,0,0|1,0,0]=2 55 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,1,0,0,0|1,0,0]=2 56 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,1,0,0,0|0,0,0]=1 57 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,1,0,0,0|0,0,1]=2 58 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,1,0,0,0|0,0,1]=2 59 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,1,0,0,0|0,0,1]=2 60 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,1,0,0,0|0,0,1]=2 61 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,1,0,0,0|0,0,1]=2 62 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,1,0,0,0|0,0,1]=2 63 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,0,1,0,0,0|2,0,1]=4 64 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,0,1,0,0,0|1,0,1]=3 65 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,0,1,0,0,0|1,0,1]=3 66 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,0,1,0,0,0|1,0,0]=2 67 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,0,1,0,0,0|1,0,1]=3 68 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,1,0,0,0|2,0,0]=3 69 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,0,1,0,0,0|1,0,0]=2 70 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,0,1,0,0,0|2,0,0]=3 71 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,0,1,0,0,0|1,0,0]=2 72 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,0,1,0,0,0|2,0,1]=4 73 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,0,1,0,0,0|2,0,1]=4 74 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,0,1,0,0,0|3,0,0]=4 75 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,0,1,0,0,0|0,0,0]=1 76 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,0,1,0,0,0|3,0,0]=4 77 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [0,0,1,0,0,0|2,0,1]=4 78 B9R0.40 CCCC[C@H](/C=N/O)CC CNP0161686.1 [0,0,1,0,0,0|2,0,1]=4 79 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,0,1,0,0,0|1,0,2]=4 80 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [0,0,1,0,0,0|1,0,2]=4 81 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,0,1,0,0,0|1,0,2]=4 82 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,0,1,0,0,0|2,0,1]=4 83 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,0,1,0,0,0|1,0,0]=2 84 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,0,1,0,0,0|3,0,0]=4 85 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,0,1,0,0,0|2,0,0]=3 86 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,0,1,0,0,0|2,0,1]=4 87 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,0,1,0,0,0|1,0,2]=4 88 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,0,1,0,0,0|1,0,2]=4 89 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,0,1,0,0,0|0,0,0]=1 90 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,0,1,0,0,0|2,0,1]=4 91 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,0,1,0,0,0|2,0,0]=3 92 B11R2.1 O=C1CCC2=C1NCCC2 CNP0242482.0 [0,0,0,1,0,0|2,0,1]=4 93 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,1,0,0|2,0,0]=3 94 B11R2.1 O=C1CNC2=C1CCCC2 CNP0612009.0 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,1,0,0|0,0,0]=1 96 B11R2.66 O=C1C[C@@H]2C(=O)OC[C@@H]2O1 CNP0386488.1 [0,0,0,1,0,0|2,0,1]=4 97 B11R2.350 CC=CC1C2C1C(=O)CC2 CNP0611323.0 [0,0,0,1,0,0|1,0,2]=4 98 B11R2.748 O=C1CCC2(C1)CCCC2 CNP0107580.0 [0,0,0,1,0,0|1,0,0]=2 99 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,0,0,0,0,1|1,0,0]=2 100 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,0,0,0,0,1|1,0,0]=2 101 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,0,0,0,0,1|0,0,0]=1 102 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,0,0,0,0,1|0,0,0]=1 103 B11R1.24 CSCC[C@H]1CCNC(=S)O1 CNP0184861.1 [0,0,0,0,0,1|1,1,0]=3 104 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,0,1,0,0,0|0,0,2]=4 105 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,1,0,0,0|1,0,0]=3 106 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,1,0,0,0|2,0,0]=4 107 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,1,0,0,0|0,0,2]=4 108 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,1,0,0,0|1,0,1]=4 109 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,1,0,0,0|0,0,2]=4 110 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,1,0,0,0|1,0,0]=3 111 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,1,0,0,0|2,0,0]=4 112 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,1,0,0,0|0,0,2]=4 113 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,1,0,0,0|0,0,2]=4 114 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,1,0,0,0|2,0,0]=4 115 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,1,0,0,0|0,0,1]=3 116 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,1,0,0,0|1,0,1]=4 117 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,1,0,0,0|1,0,1]=4 118 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,1,0,0,0|0,0,0]=2 119 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,1,0,0,0|1,0,1]=4 120 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,1,0,0,0|1,0,1]=4 121 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,1,0,0,0|0,0,1]=3 122 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,1,0,0,0|2,0,0]=4 123 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,1,0,0,0|1,0,0]=3 124 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,1,0,0,0|0,0,0]=2 125 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,1,0,0,0|1,0,0]=3 126 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,1,0,0,0|2,0,0]=4 127 B8R0.4 CCCCOCCCO CNP0141373.0 [1,0,1,0,0,0|1,0,1]=4 128 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,1,0,0,0|1,0,0]=3 129 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,0,1,0,0,0|0,0,2]=4 130 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,0,1,0,0,0|2,0,0]=4 131 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,1,0,0,0|0,0,2]=4 132 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,1,0,0,0|0,0,2]=4 133 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,1,0,0,0|1,0,1]=4 134 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,1,0,0,0|0,0,2]=4 135 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,1,0,0,0|2,0,0]=4 136 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,1,0,0,0|1,0,1]=4 137 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,1,0,0,0|1,0,0]=3 138 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,1,0,0,0|1,0,0]=3 139 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,1,0,0,0|1,0,0]=3 140 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,1,0,0,0|0,0,0]=2 141 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,1,0,0,0|1,0,1]=4 142 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,1,0,0,0|1,0,1]=4 143 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,1,0,0,0|1,0,0]=3 144 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,1,0,0,0|1,0,1]=4 145 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,1,0,0,0|0,0,0]=2 146 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,1,0,0,0|1,0,0]=3 147 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,1,0,0,0|2,0,0]=4 148 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,0,1,0,0,0|1,0,0]=3 149 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,0,1,0,0,0|1,0,0]=3 150 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,1,0,0,0|1,0,0]=3 151 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,1,0,0,0|1,0,0]=3 152 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,1,0,0,0|1,0,1]=4 153 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,0,1,0,0,0|0,0,1]=3 154 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [1,0,1,0,0,0|1,0,0]=3 155 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [1,0,1,0,0,0|1,0,0]=3 156 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,0,1,0,0,0|1,0,1]=4 157 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,0,1,0,0,0|1,0,1]=4 158 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,0,1,0,0,0|0,0,1]=3 159 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,0,1,0,0,0|1,0,1]=4 160 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [1,0,1,0,0,0|2,0,0]=4 161 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,0,1,0,0,0|2,0,0]=4 162 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,0,1,0,0,0|1,0,1]=4 163 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,0,1,0,0,0|1,0,0]=3 164 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,0,1,0,0,0|2,0,0]=4 165 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,0,1,0,0,0|0,0,0]=2 166 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,0,1,0,0,0|1,0,0]=3 167 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,0,1,0,0,0|0,0,2]=4 168 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,0,1,0,0,0|0,0,2]=4 169 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,0,1,0,0,0|0,0,2]=4 170 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [1,0,1,0,0,0|1,0,1]=4 171 B8R0.11 CCCCC(CC)CS CNP0002408.0 [1,0,1,0,0,0|0,1,1]=4 172 B8R0.11 CCCCC(OC)OC CNP0417281.0 [1,0,1,0,0,0|1,0,1]=4 173 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,0,1,0,0,0|0,0,0]=2 174 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [1,0,1,0,0,0|0,0,2]=4 175 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,0,1,0,0,0|0,0,0]=2 176 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [1,0,1,0,0,0|0,0,2]=4 177 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [1,0,1,0,0,0|2,0,0]=4 178 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,0,1,0,0,0|0,0,2]=4 179 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,0,1,0,0,0|0,0,2]=4 180 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,0,1,0,0,0|0,0,2]=4 181 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,0,1,0,0,0|0,0,2]=4 182 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,0,1,0,0,0|0,0,0]=2 183 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,0,1,0,0,0|1,0,0]=3 184 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,0,1,0,0,0|1,0,0]=3 185 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,0,1,0,0,0|1,0,0]=3 186 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,0,1,0,0,0|0,0,2]=4 187 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,0,1,0,0,0|1,0,1]=4 188 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,0,1,0,0,0|0,0,2]=4 189 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,0,1,0,0,0|0,0,0]=2 190 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,0,1,0,0,0|2,0,0]=4 191 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,0,1,0,0,0|2,0,0]=4 192 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [2,0,0,0,0,0|1,0,1]=4 193 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [2,0,0,0,0,0|0,0,2]=4 194 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [2,0,0,0,0,0|1,0,1]=4 195 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [2,0,0,0,0,0|0,0,2]=4 196 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [2,0,0,0,0,0|0,0,0]=2 197 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [2,0,0,0,0,0|0,0,0]=2 198 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [2,0,0,0,0,0|1,0,0]=3 201 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [2,0,0,0,0,0|1,0,0]=3 205 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [2,0,0,0,0,0|1,0,0]=3 206 B8R1.8 CCCC1CCCC1 CNP0271421.0 [2,0,0,0,0,0|1,0,1]=4 207 B8R1.8 CCCC1CCSS1 CNP0313862.0 [2,0,0,0,0,0|1,1,0]=4 208 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,1,0,0,0|0,0,1]=3 209 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,1,0,0,0|2,0,0]=4 210 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,1,1,0,0,0|0,0,0]=2 211 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,1,1,0,0,0|0,0,1]=3 212 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,1,1,0,0,0|1,0,1]=4 213 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,1,1,0,0,0|0,0,1]=3 214 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,1,0,0,0|1,0,0]=3 215 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,1,1,0,0,0|1,0,1]=4 216 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,1,0,0,0|0,0,1]=3 217 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,1,0,0,0|1,0,1]=4 218 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,1,1,0,0,0|0,0,1]=3 219 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,1,1,0,0,0|1,0,1]=4 220 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,1,0,0,0|0,0,1]=3 221 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,1,0,0,0|1,0,1]=4 222 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,1,1,0,0,0|1,0,1]=4 223 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,1,1,0,0,0|1,0,1]=4 224 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,1,0,0,0|0,0,1]=3 225 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,1,0,0,0|1,0,0]=3 226 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,1,0,0,0|1,0,0]=3 227 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,1,0,0,0|1,0,0]=3 228 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,1,0,0,0|0,0,0]=2 229 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,1,1,0,0,0|1,0,1]=4 230 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,1,1,0,0,0|1,0,1]=4 231 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,1,0,0,0|1,0,0]=3 232 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,1,0,0,0|2,0,0]=4 233 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,1,0,0,0|0,0,0]=2 234 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,1,1,0,0,0|1,0,0]=3 235 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,1,1,0,0,0|1,0,0]=3 236 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,1,0,0,0|0,0,0]=2 237 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,1,0,0,0|0,0,0]=2 238 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,1,0,0,0|0,0,1]=3 239 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,1,1,0,0,0|0,0,0]=2 240 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,1,1,0,0,0|0,0,0]=2 241 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,1,0,0,0|2,0,0]=4 242 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,1,1,0,0,0|0,0,0]=2 243 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,1,1,0,0,0|1,0,0]=3 244 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,1,1,0,0,0|2,0,0]=4 245 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,1,1,0,0,0|2,0,0]=4 246 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [0,1,1,0,0,0|0,0,2]=4 247 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,1,1,0,0,0|1,0,1]=4 248 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,1,0,0,0|0,0,0]=2 249 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,1,1,0,0,0|1,0,1]=4 250 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,1,0,0,0|1,0,0]=3 251 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,1,1,0,0,0|1,0,1]=4 252 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,1,0,0,0|0,0,2]=4 253 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,1,1,0,0,0|0,0,2]=4 254 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,1,1,0,0,0|0,0,2]=4 255 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,1,1,0,0,0|0,0,2]=4 256 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,1,0,0,0|1,0,0]=3 257 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,1,0,0,0|1,0,0]=3 258 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,1,0,0,0|0,0,0]=2 259 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,1,0,0,0|0,0,0]=2 260 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,1,0,0,0|0,1,0]=3 261 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,1,1,0,0,0|1,0,1]=4 262 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,1,1,0,0,0|1,0,1]=4 263 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,1,1,0,0,0|1,0,1]=4 264 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,1,0,0,0|2,0,0]=4 265 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,1,1,0,0,0|0,0,1]=3 266 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,1,1,0,0,0|0,0,0]=2 267 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,1,0,0,0|0,0,0]=2 268 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,1,1,0,0,0|0,0,0]=2 269 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,1,0,0,0|0,0,0]=2 270 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,1,1,0,0,0|0,0,0]=2 271 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,1,1,0,0,0|1,0,0]=3 272 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [0,1,1,0,0,0|2,0,0]=4 273 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,1,0,0,0|1,0,0]=3 274 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,1,1,0,0,0|1,0,1]=4 275 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,1,0,0,0|1,0,0]=3 276 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,1,0,0,0|1,0,0]=3 277 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [0,1,1,0,0,0|2,0,0]=4 278 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [0,1,1,0,0,0|2,0,0]=4 279 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,1,1,0,0,0|1,0,1]=4 280 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,1,1,0,0,0|0,0,0]=2 281 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,1,0,0,0|1,0,0]=3 282 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,1,1,0,0,0|1,0,1]=4 283 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,1,1,0,0,0|0,0,0]=2 284 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [0,1,1,0,0,0|1,0,1]=4 285 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [0,1,1,0,0,0|0,0,2]=4 286 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,1,1,0,0,0|0,0,0]=2 287 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [0,1,1,0,0,0|1,0,1]=4 288 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,1,1,0,0,0|1,0,1]=4 289 B10R0.96 CC(=O)OCC(C)OC(=O)C CNP0403199.0 [0,1,1,0,0,0|1,0,1]=4 290 B10R0.19 CCCC[C@H](O)[C@@H](C)CCC CNP0167037.1 [0,1,1,0,0,0|1,0,1]=4 291 B10R0.19 CCCC[C@H](O)[C@H](C)CCC CNP0167037.2 [0,1,1,0,0,0|1,0,1]=4 292 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [0,1,1,0,0,0|2,0,0]=4 293 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,1,1,0,0,0|0,0,2]=4 294 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [0,1,1,0,0,0|0,0,2]=4 295 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [0,1,1,0,0,0|0,0,2]=4 296 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [0,1,1,0,0,0|1,0,0]=3 297 B10R0.90 CCCCC(OCC)OCC CNP0384522.0 [0,1,1,0,0,0|1,0,1]=4 298 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,1,1,0,0,0|0,0,2]=4 299 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,1,1,0,0,0|2,0,0]=4 300 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,1,1,0,0,0|2,0,0]=4 301 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,1,1,0,0,0|1,0,0]=3 302 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,1,1,0,0,0|0,0,2]=4 303 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,1,1,0,0,0|1,0,1]=4 304 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,1,1,0,0,0|1,0,0]=3 305 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,1,1,0,0,0|1,0,0]=3 306 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,1,1,0,0,0|0,0,0]=2 307 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,1,1,0,0,0|1,0,1]=4 308 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,1,1,0,0,0|2,0,0]=4 309 B10R0.41 CCCCCCC(=NO)CC CNP0390787.0 [0,1,1,0,0,0|1,0,1]=4 310 B10R0.59 CC/C(=C/CC[C@@H](O)CC)/C CNP0213896.1 [0,1,1,0,0,0|2,0,0]=4 311 B10R0.59 CC/C(=C/CC[C@H](O)CC)/C CNP0213896.2 [0,1,1,0,0,0|2,0,0]=4 312 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,1,1,0,0,0|2,0,0]=4 313 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 CNP0187318.1 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.11 CCCC(C)C1CCCC1 CNP0519344.0 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.21 NCCOC[C@@H]1CCCO1 CNP0485618.1 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.21 NCCOC[C@H]1CCCO1 CNP0485618.2 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.1 CCCCCC1COC(=O)CO1 CNP0556018.0 [0,1,0,0,0,1|1,0,0]=3 324 B12R1.28 CC/C=C/C[C@@H]1CCCC(=O)O1 CNP0270021.2 [0,1,0,0,0,1|0,0,1]=3 325 B12R1.28 CC/C=C\C[C@@H]1CC=CC(=O)O1 CNP0304703.1 [0,1,0,0,0,1|0,0,2]=4 326 B12R1.28 CC/C=C\C[C@H]1CCCC(=O)O1 CNP0270021.1 [0,1,0,0,0,1|0,0,1]=3 327 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,1,0,0,0,1|0,0,0]=2 328 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,0,0,1|1,0,1]=4 329 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,1,0,0,0,1|0,0,1]=3 330 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,1,0,0,0,1|0,0,0]=2 331 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,0,0,1|1,0,1]=4 332 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,1,0,0,0,1|0,0,0]=2 333 B12R1.313 C/C=C/[C@H](O)C1OC(=O)CC1O CNP0271028.2 [0,2,0,0,0,0|0,0,2]=4 334 B12R1.313 C/C=C/[C@H](O)[C@H]1OC(=O)C[C@H]1O CNP0271028.1 [0,2,0,0,0,0|0,0,2]=4 335 B12R1.313 CC=C[C@H](O)[C@H]1OC(=O)C[C@@H]1O CNP0271028.3 [0,2,0,0,0,0|0,0,2]=4 336 B12R1.1608 CCOC(=O)[C@@]1(CCC(=O)O1)O CNP0416997.1 [0,2,0,0,0,0|1,0,1]=4 337 B12R1.7 C/C=C\C#CC[C@H]1CCC(=O)O1 CNP0115450.1 [0,2,0,0,0,0|0,0,2]=4 338 B12R1.7 CC/C=C\CC[C@@H]1CCC(=O)O1 CNP0155481.1 [0,2,0,0,0,0|0,0,0]=2 339 B12R1.7 CCCC#CC[C@@H]1CCC(=O)O1 CNP0502318.1 [0,2,0,0,0,0|0,0,0]=2 340 B12R1.7 CCCC#CC[C@H]1CCC(=O)O1 CNP0502318.2 [0,2,0,0,0,0|0,0,0]=2 341 B12R1.7 CCCC/C=C/[C@@H]1CCC(=O)O1 CNP0294623.2 [0,2,0,0,0,0|0,0,0]=2 342 B12R1.7 CCCC/C=C\[C@@H]1CCC(=O)O1 CNP0294623.1 [0,2,0,0,0,0|0,0,0]=2 343 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,2,0,0,0,0|0,0,2]=4 344 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,2,0,0,0,0|0,0,0]=2 345 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,2,0,0,0,0|0,0,0]=2 346 B12R1.105 CC(=CCC[C@H]1CCC(=O)O1)C CNP0542275.1 [0,2,0,0,0,0|0,0,1]=3 347 B12R1.455 CCCCC[C@H]1CCC(=N1)CC CNP0189691.1 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@@H]1O CNP0268314.3 [0,2,0,0,0,0|0,0,0]=2 349 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@H]1O CNP0268314.4 [0,2,0,0,0,0|0,0,0]=2 350 B12R1.456 CCCCC[C@H]1OC(=O)C[C@@H]1O CNP0268314.2 [0,2,0,0,0,0|0,0,0]=2 351 B12R1.456 CCCCC[C@H]1OC(=O)C[C@H]1O CNP0268314.1 [0,2,0,0,0,0|0,0,0]=2 352 B12R1.527 CCCCCC1=C(C(=O)CC1)O CNP0260422.0 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.104 N[C@@H](C[C@@H]1CCC(=O)O1)C(=O)O CNP0123551.1 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.532 COC(=O)C[C@@H]1OC(=O)C[C@@H]1C CNP0441321.1 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.1672 CC[C@H](C)CC1=C(C(=O)CC1)O CNP0198985.1 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.836 CS(=O)(=O)CC[C@H]1CCC(=O)O1 CNP0555708.1 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.861 CC(=CC[C@H]1OC(=O)C[C@@H]1C)C CNP0303951.1 [0,2,0,0,0,0|0,0,2]=4 358 B12R1.861 CC(C)CCC1NC(=O)OC1C CNP0571291.0 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.870 CC(C)CCC1=C(C(=O)CC1)O CNP0154714.0 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.1794 CCCC[C@]1(CCC(=O)O1)CC CNP0159155.1 [0,2,0,0,0,0|0,0,0]=2 361 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,1,1,0,0|0,0,0]=2 362 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,0,1,1,0,0|0,0,2]=4 363 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,0,1,1,0,0|0,0,2]=4 364 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,1,1,0,0|2,0,0]=4 365 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,1,1,0,0|2,0,0]=4 366 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,1,1,0,0|2,0,0]=4 367 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [0,0,1,1,0,0|2,0,0]=4 368 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [0,0,1,1,0,0|2,0,0]=4 369 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,0,1,1,0,0|0,0,0]=2 370 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,0,1,1,0,0|1,0,0]=3 371 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,0,1,1,0,0|1,0,0]=3 372 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,0,1,1,0,0|2,0,0]=4 373 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,0,1,1,0,0|1,0,0]=3 374 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,0,1,1,0,0|2,0,0]=4 375 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,0,1,1,0,0|2,0,0]=4 376 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,0,1,1,0,0|2,0,0]=4 377 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,0,1,1,0,0|2,0,0]=4 378 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,0,1,1,0,0|1,0,0]=3 379 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,1,1,0,0|1,0,0]=3 380 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,1,1,0,0|2,0,0]=4 381 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,1,1,0,0|2,0,0]=4 382 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,1,1,0,0|0,0,0]=2 383 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,1,1,0,0|1,0,0]=3 384 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,1,1,0,0|1,0,0]=3 385 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [0,0,1,1,0,0|1,0,0]=3 386 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,0,1,1,0,0|0,0,2]=4 387 B10R1.1 C/C=C/[C@H]1CC[C@@H](CC1)C CNP0181401.1 [0,0,1,1,0,0|2,0,0]=4 388 B10R1.1 CC1CCC(CC1)N=C=O CNP0522319.0 [0,0,1,1,0,0|1,0,1]=4 389 B10R1.20 O=CN1CCCCC1CO CNP0303118.0 [0,0,1,1,0,0|2,0,0]=4 390 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,0,1,1,0,0|2,0,0]=4 391 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [0,0,1,1,0,0|2,0,0]=4 392 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,0,1,1,0,0|2,0,0]=4 393 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [1,0,0,1,0,0|1,0,1]=4 394 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [1,0,0,1,0,0|1,0,0]=3 395 B10R2.7 C1=CC2CCCCC2C1 CNP0590216.0 [1,0,0,1,0,0|1,0,0]=3 396 B10R2.7 C1CC[C@@H]2CNC[C@H]2C1 CNP0486232.1 [1,0,0,1,0,0|2,0,0]=4 397 B10R2.7 C1CC[C@H]2CCC[C@H]2C1 CNP0076465.1 [1,0,0,1,0,0|1,0,1]=4 398 B10R2.7 C1CC[C@H]2CNC[C@@H]2C1 CNP0486232.3 [1,0,0,1,0,0|2,0,0]=4 399 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 CNP0486232.2 [1,0,0,1,0,0|2,0,0]=4 400 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [0,0,0,1,1,0|2,0,0]=4 401 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,0,0,1,1,0|1,0,0]=3 402 B10R2.110 C1CCC2CCC2CC1 CNP0542798.0 [0,0,0,1,1,0|1,0,1]=4 403 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,1,0,1|1,0,0]=3 404 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,1,0,1|0,0,0]=2 405 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,0,0,1,0,1|2,0,0]=4 406 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,0,0,1,0,1|2,0,0]=4 407 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,1,0,1|0,0,0]=2 408 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,1,0,1|0,0,0]=2 409 B12R2.203 C[C@@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.1 [0,0,0,1,0,1|1,0,0]=3 410 B12R2.203 C[C@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.2 [0,0,0,1,0,1|1,0,0]=3 411 B12R2.612 C[C@@H]1CC[C@H]2[C@@H]1COC(=O)C2 CNP0210998.1 [0,0,0,1,0,1|1,0,0]=3 412 B12R2.1020 O=C1CC2CCOCC(C1)N2 CNP0157111.0 [0,0,0,1,0,1|2,0,0]=4 413 B12R2.5342 C[C@@H]1OC(=O)[C@@H]2[C@H]1CC(=O)O2 CNP0529333.1 [0,1,0,1,0,0|1,0,1]=4 414 B12R2.586 O=C1CCC2=C1NCCCC2 CNP0002630.0 [0,1,0,1,0,0|1,0,1]=4 415 B12R2.2918 C[C@@H]1CC[C@@]2(O1)CCCCO2 CNP0275425.1 [0,1,0,1,0,0|1,0,1]=4 416 B12R2.2918 C[C@@H]1CC[C@]2(O1)CCCCO2 CNP0275425.2 [0,1,0,1,0,0|1,0,1]=4 417 B12R2.2918 C[C@H]1CC[C@@]2(O1)CCCCO2 CNP0275425.3 [0,1,0,1,0,0|1,0,1]=4 418 B12R2.2918 O=C1CCC2(C1)CCCCC2 CNP0541943.0 [0,1,0,1,0,0|1,0,0]=3 419 B12R2.2918 O[C@@H]1CC[C@@]2(O1)CCCCO2 CNP0016538.1 [0,1,0,1,0,0|0,0,2]=4 420 B12R2.606 O=C1C=C2CC[C@@H](C[C@@H]2O1)O CNP0293296.2 [0,1,0,1,0,0|0,0,2]=4 421 B12R2.606 O=C1C=C2CC[C@H](C[C@@H]2O1)O CNP0293296.1 [0,1,0,1,0,0|0,0,2]=4 422 B12R2.606 O=C1C=C2CC[C@H](C[C@H]2O1)O CNP0293296.3 [0,1,0,1,0,0|0,0,2]=4 423 B12R2.606 O=C1C[C@@H]2C=C[C@@H](C[C@H]2O1)O CNP0114258.2 [0,1,0,1,0,0|0,0,2]=4 424 B12R2.606 O=C1C[C@@H]2C=C[C@H](C[C@H]2O1)O CNP0114258.1 [0,1,0,1,0,0|0,0,2]=4 425 B12R2.1 O/N=C/1\CC[C@@H]2[C@@H]1CCCC2 CNP0118560.1 [0,1,0,1,0,0|1,0,1]=4 426 B12R2.19 O=C1C[C@]2(CC=CC[C@H]2O1)O CNP0211973.1 [0,1,0,1,0,0|0,0,2]=4 427 B12R2.219 C[C@@]12CCC(=O)N1CCCN2 CNP0399011.2 [0,1,0,1,0,0|2,0,0]=4 428 B12R2.219 C[C@]12CCC(=O)N1CCCN2 CNP0399011.1 [0,1,0,1,0,0|2,0,0]=4 429 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,0,1,0,1,0|0,0,2]=4 430 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,0,1,0,1,0|1,0,1]=4 431 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,0,1,0,1,0|1,0,1]=4 432 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,0,1,0,1,0|0,0,2]=4 433 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,0,1,0,1,0|1,0,1]=4 434 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,0,1,0,1,0|0,0,2]=4 435 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,0,1,0,1,0|1,0,0]=3 436 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,0,1,0,1,0|2,0,0]=4 437 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,0,1,0,1,0|2,0,0]=4 438 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,0,1,0,1,0|2,0,0]=4 439 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,0,1,0,1,0|1,0,1]=4 440 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,0,1,0,1,0|2,0,0]=4 441 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,0,1,0,1,0|2,0,0]=4 442 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,0,1,0,1,0|2,0,0]=4 443 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,0,1,0|0,0,1]=3 444 B12R1.348 CCCC[C@H]1C=CC(=O)C=CC1 CNP0431580.1 [0,0,0,0,0,2|1,0,1]=4 445 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,0,0,0,0,2|0,0,0]=2