0 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,0,0,0,0,0|0,0,2]=2 2 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,0,0,0,0,0|0,0,2]=2 7 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,0,0,0,0,0|0,0,0]=0 9 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,0,0,0,0,0|2,0,0]=2 14 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,0,0,0,0,0|2,0,1]=3 15 B10R0.1 CCCN(N)CCCCCN CNP0546326.0 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,0,0,0,0,0|1,0,0]=1 17 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [1,0,0,0,0,0|0,0,2]=3 19 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [1,0,0,0,0,0|0,0,2]=3 20 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,0,0,0,0,0|1,0,1]=3 21 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [1,0,0,0,0,0|0,0,2]=3 24 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,0,0,0,0,0|1,0,0]=2 27 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,0,0,0,0,0|0,0,0]=1 29 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [1,0,0,0,0,0|1,0,2]=4 31 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [1,0,0,0,0,0|2,0,0]=3 32 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [1,0,0,0,0,0|1,0,1]=3 34 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,0,0,0,0,0|1,0,0]=2 35 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [1,0,0,0,0,0|1,0,2]=4 36 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.45 CC#CCCCCCCC CNP0076890.0 [1,0,0,0,0,0|1,0,2]=4 38 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,0,0,0,0,0|1,0,2]=4 39 B9R0.45 CCC#CCCCCCC CNP0606734.0 [1,0,0,0,0,0|1,0,1]=3 40 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,0,0,0,0|1,0,0]=2 42 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,0,0,0,0,0|2,0,0]=3 43 B9R0.45 CCCC#CCCCCC CNP0576219.0 [1,0,0,0,0,0|1,0,2]=4 44 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,0,0,0,0,0|1,0,1]=3 45 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.45 CCCCCCC#CCO CNP0485953.0 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,0,0,0,0,0|2,0,0]=3 49 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,0,0,0,0,0|1,0,1]=3 50 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,0,0,0,0,0|1,0,2]=4 54 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,0,0,0,0,0|0,0,1]=2 55 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,0,0,0,0,0|2,0,0]=3 56 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.45 CCOCCOCCOC CNP0567615.0 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,0,0,0,0,0|0,0,2]=3 59 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,0,0,0,0,0|0,0,2]=3 60 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [1,0,0,0,0,0|0,0,2]=3 61 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [1,0,0,0,0,0|0,0,2]=3 62 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [1,0,0,0,0,0|3,0,0]=4 63 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,0,0,0,0,0|0,0,0]=1 64 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [1,0,0,0,0,0|2,0,0]=3 65 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,0,0,0,0,0|0,0,0]=1 66 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,0,0,0,0,0|1,0,1]=3 68 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,0,0,0,0,0|0,0,2]=3 69 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [1,0,0,0,0,0|1,0,2]=4 70 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,0,0,0,0,0|1,0,1]=3 71 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,0,0,0,0,0|0,0,2]=3 72 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,0,0,0,0,0|1,0,0]=2 73 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [1,0,0,0,0,0|3,0,0]=4 77 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [0,1,0,0,0,0|1,0,2]=4 78 B11R0.2 CCCCCCC(C)CC(C)C CNP0576324.0 [0,1,0,0,0,0|2,0,1]=4 79 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,1,0,0,0,0|1,0,2]=4 80 B11R0.2 CCCCCOC(=O)CC(C)C CNP0135492.0 [0,1,0,0,0,0|2,0,0]=3 81 B11R0.4 C=CCC=CCCC(=O)OCC CNP0209435.0 [0,1,0,0,0,0|0,0,3]=4 82 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,1,0,0,0,0|1,0,1]=3 83 B11R0.4 CC=CCCCOC(=O)CCC CNP0508923.0 [0,1,0,0,0,0|1,0,2]=4 84 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,1,0,0,0,0|1,0,2]=4 85 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [0,1,0,0,0,0|0,0,1]=2 86 B11R0.4 CCCC=CCOC(=O)CCC CNP0260808.0 [0,1,0,0,0,0|1,0,2]=4 87 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [0,1,0,0,0,0|0,0,1]=2 88 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,1,0,0,0,0|0,0,1]=2 89 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,1,0,0,0,0|0,0,1]=2 90 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,1,0,0,0,0|3,0,0]=4 91 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,1,0,0,0,0|1,0,0]=2 92 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,1,0,0,0,0|0,0,0]=1 93 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [0,1,0,0,0,0|2,0,1]=4 94 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [0,1,0,0,0,0|1,0,2]=4 95 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,1,0,0,0,0|1,0,0]=2 96 B11R0.4 CCCCCCO[C@H](C)OCC CNP0259643.1 [0,1,0,0,0,0|1,0,1]=3 97 B11R0.5 CCCCC(=CC(=O)OCC)Br CNP0310959.0 [0,1,0,0,0,0|0,0,2]=3 98 B11R0.5 CCCCC(C)CC(C)CCC CNP0574073.0 [0,1,0,0,0,0|2,0,1]=4 99 B11R0.5 CCCCC(C)OC(=O)CCC CNP0547746.0 [0,1,0,0,0,0|2,0,0]=3 100 B11R0.5 NCCC[C@@H](N)CC(=O)NCN CNP0337275.1 [0,1,0,0,0,0|3,0,0]=4 101 B11R0.62 CCOC(=O)CCC(=O)OCC CNP0115480.0 [0,1,0,0,0,0|1,0,1]=3 102 B11R0.81 C=C(CCCC)OCCCCC CNP0385438.0 [0,1,0,0,0,0|3,0,0]=4 103 B11R0.81 C=CCOC(=O)CCCCCC CNP0085340.0 [0,1,0,0,0,0|0,0,1]=2 104 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,1,0,0,0,0|1,0,1]=3 105 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [0,1,0,0,0,0|0,0,0]=1 106 B11R0.81 CCCCCCC(C)CCCC CNP0536101.0 [0,1,0,0,0,0|2,0,1]=4 107 B11R0.81 CCCCCOC(=O)CCCC CNP0079884.0 [0,1,0,0,0,0|2,0,0]=3 108 B11R0.142 CC=C(C)C(=O)OCCCCC CNP0541757.0 [0,1,0,0,0,0|2,0,1]=4 109 B11R0.142 CCCCCOC(=O)[C@H](C)CC CNP0234090.1 [0,1,0,0,0,0|2,0,0]=3 110 B11R0.161 CCCCCCC(CC)CCC CNP0593745.0 [0,1,0,0,0,0|2,0,1]=4 111 B11R0.161 CCCCCC[C@@H](CC)OCC CNP0201095.2 [0,1,0,0,0,0|1,0,1]=3 112 B11R0.161 CCCCCC[C@H](CC)OCC CNP0201095.1 [0,1,0,0,0,0|1,0,1]=3 113 B11R0.174 CCCC(=O)OCCC(C)CC CNP0235877.0 [0,1,0,0,0,0|2,0,0]=3 114 B11R0.174 CCCC(C)CCCC(C)CC CNP0076780.0 [0,1,0,0,0,0|2,0,1]=4 115 B11R0.176 CCCC(=O)OCCCC(C)C CNP0508013.0 [0,1,0,0,0,0|2,0,0]=3 116 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,1,0,0,0,0|0,0,0]=1 117 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,1,0,0,0,0|0,0,0]=1 118 B11R0.176 CCOC(=O)CCCSC(=O)C CNP0003277.0 [0,1,0,0,0,0|1,0,1]=3 119 B11R0.304 CCCCCC[P@](=O)(O)OCC CNP0577105.1 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [0,0,0,1,0,0|1,0,2]=4 121 B11R1.4 CCCCCCC1CCCC1 CNP0324091.0 [0,0,0,1,0,0|2,0,1]=4 122 B11R1.16 CCCN(C)C1CCCCC1 CNP0578480.0 [0,0,0,1,0,0|3,0,0]=4 123 B11R1.16 CCOC(=O)C1CCCCC1 CNP0408576.0 [0,0,0,1,0,0|0,0,0]=1 124 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,0,0,1,0,0|2,0,0]=3 125 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,0,0,1,0,0|3,0,0]=4 126 B11R1.30 COCC(=O)OC1CCCC1 CNP0525040.0 [0,0,0,1,0,0|3,0,0]=4 127 B11R1.81 CCCC1=C(OC(=O)CC1)C CNP0474826.0 [0,0,0,1,0,0|0,0,2]=3 128 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [0,0,0,1,0,0|2,0,1]=4 129 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,0,1,0,0|0,0,2]=3 130 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,0,0,1,0,0|1,0,2]=4 131 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [0,0,0,1,0,0|1,0,2]=4 132 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,0,0,1,0,0|1,0,0]=2 133 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,0,0,1,0,0|0,0,0]=1 134 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,0,0,1,0,0|1,0,1]=3 135 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,0,0,1,0,0|1,0,1]=3 136 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,0,0,1,0,0|2,0,0]=3 137 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,0,0,1,0,0|2,0,0]=3 138 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,0,0,1,0,0|2,0,0]=3 139 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,0,0,1,0,0|2,0,0]=3 140 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [2,0,0,0,0,0|0,0,2]=4 141 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [2,0,0,0,0,0|1,0,1]=4 142 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [2,0,0,0,0,0|1,0,0]=3 143 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [2,0,0,0,0,0|0,0,0]=2 144 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [2,0,0,0,0,0|2,0,0]=4 145 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [2,0,0,0,0,0|1,0,1]=4 146 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [2,0,0,0,0,0|1,0,0]=3 147 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [2,0,0,0,0,0|1,0,0]=3 148 B8R0.4 CC#CCCCCCC CNP0610539.0 [2,0,0,0,0,0|0,0,2]=4 149 B8R0.4 CC=C=CCCCCC CNP0555445.0 [2,0,0,0,0,0|1,0,1]=4 150 B8R0.4 CC=CCCCCCC CNP0241269.0 [2,0,0,0,0,0|0,0,1]=3 151 B8R0.4 CC=CCCCCCO CNP0534658.0 [2,0,0,0,0,0|1,0,1]=4 152 B8R0.4 CCC=CCCCCC CNP0539420.0 [2,0,0,0,0,0|0,0,1]=3 153 B8R0.4 CCC=CCCCCO CNP0192139.0 [2,0,0,0,0,0|1,0,1]=4 154 B8R0.4 CCCC=CCCCC CNP0594829.0 [2,0,0,0,0,0|1,0,1]=4 155 B8R0.4 CCCCCC=CCO CNP0113756.0 [2,0,0,0,0,0|1,0,1]=4 156 B8R0.4 CCCCCCC=CO CNP0605778.0 [2,0,0,0,0,0|1,0,1]=4 157 B8R0.4 CCCCCCC=NO CNP0389770.0 [2,0,0,0,0,0|2,0,0]=4 158 B8R0.4 CCCCCCCCC CNP0402619.0 [2,0,0,0,0,0|0,0,1]=3 159 B8R0.4 CCCCCCCCN CNP0065900.0 [2,0,0,0,0,0|1,0,1]=4 160 B8R0.4 CCCCCCCCO CNP0368614.0 [2,0,0,0,0,0|1,0,1]=4 161 B8R0.4 CCCCCCCNC CNP0216624.0 [2,0,0,0,0,0|1,0,1]=4 162 B8R0.4 CCCCCCCOO CNP0566054.0 [2,0,0,0,0,0|1,0,1]=4 163 B8R0.4 CCCCCCOC=O CNP0086211.0 [2,0,0,0,0,0|1,0,1]=4 164 B8R0.4 CCCCCCOCC CNP0609034.0 [2,0,0,0,0,0|0,0,0]=2 165 B8R0.4 CCCCCCSSC CNP0510251.0 [2,0,0,0,0,0|1,1,0]=4 166 B8R0.4 CCCCNCCCC CNP0203128.0 [2,0,0,0,0,0|1,0,1]=4 167 B8R0.4 CCCCOCCCC CNP0077266.0 [2,0,0,0,0,0|1,0,1]=4 168 B8R0.4 CCCCSCCCC CNP0370059.0 [2,0,0,0,0,0|1,0,1]=4 169 B8R0.4 CCNCCCNCC CNP0239670.0 [2,0,0,0,0,0|2,0,0]=4 170 B8R0.4 CCOCCOCCO CNP0079970.0 [2,0,0,0,0,0|2,0,0]=4 171 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [2,0,0,0,0,0|0,0,2]=4 172 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [2,0,0,0,0,0|0,0,2]=4 173 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [2,0,0,0,0,0|0,0,2]=4 174 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [2,0,0,0,0,0|0,0,2]=4 175 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [2,0,0,0,0,0|0,0,2]=4 176 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [2,0,0,0,0,0|0,0,0]=2 177 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [2,0,0,0,0,0|1,0,0]=3 178 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [2,0,0,0,0,0|0,0,0]=2 179 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [2,0,0,0,0,0|0,1,0]=3 180 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [2,0,0,0,0,0|0,0,2]=4 181 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [2,0,0,0,0,0|1,0,1]=4 182 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [2,0,0,0,0,0|0,0,2]=4 183 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [2,0,0,0,0,0|1,0,0]=3 184 B8R0.6 COC(=O)CCCSC CNP0313998.0 [2,0,0,0,0,0|1,0,0]=3 185 B8R0.6 COCCCC(=O)OC CNP0580088.0 [2,0,0,0,0,0|1,0,0]=3 186 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [2,0,0,0,0,0|1,0,0]=3 187 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [2,0,0,0,0,0|0,0,2]=4 188 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [2,0,0,0,0,0|2,0,0]=4 189 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [2,0,0,0,0,0|0,0,2]=4 190 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [2,0,0,0,0,0|0,0,2]=4 191 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [2,0,0,0,0,0|0,0,2]=4 192 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [2,0,0,0,0,0|0,0,2]=4 193 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [2,0,0,0,0,0|0,0,2]=4 194 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [2,0,0,0,0,0|0,0,2]=4 195 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [2,0,0,0,0,0|1,0,1]=4 196 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [2,0,0,0,0,0|0,0,2]=4 197 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [2,0,0,0,0,0|0,0,0]=2 198 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [2,0,0,0,0,0|1,0,0]=3 199 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [2,0,0,0,0,0|1,0,0]=3 200 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [2,0,0,0,0,0|0,0,0]=2 201 B8R0.7 CCCCCCC(C)C CNP0161146.0 [2,0,0,0,0,0|1,0,1]=4 202 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [2,0,0,0,0,0|1,0,1]=4 203 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [2,0,0,0,0,0|0,0,2]=4 204 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [2,0,0,0,0,0|1,0,1]=4 205 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [2,0,0,0,0,0|0,0,2]=4 206 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [2,0,0,0,0,0|1,0,0]=3 207 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [2,0,0,0,0,0|1,0,1]=4 208 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [2,0,0,0,0,0|1,0,0]=3 209 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [2,0,0,0,0,0|1,0,0]=3 210 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [2,0,0,0,0,0|1,0,0]=3 211 B8R0.7 COCCCOC(=O)C CNP0076800.0 [2,0,0,0,0,0|2,0,0]=4 212 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [2,0,0,0,0,0|2,0,0]=4 213 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [2,0,0,0,0,0|1,0,0]=3 214 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [2,0,0,0,0,0|1,0,0]=3 215 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [2,0,0,0,0,0|1,0,1]=4 216 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [1,1,0,0,0,0|0,0,1]=3 217 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [1,1,0,0,0,0|2,0,0]=4 218 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [1,1,0,0,0,0|0,0,0]=2 219 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [1,1,0,0,0,0|1,0,1]=4 220 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [1,1,0,0,0,0|2,0,0]=4 221 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [1,1,0,0,0,0|0,0,2]=4 222 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [1,1,0,0,0,0|0,0,1]=3 223 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [1,1,0,0,0,0|0,0,0]=2 224 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [1,1,0,0,0,0|0,0,0]=2 225 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [1,1,0,0,0,0|1,0,1]=4 226 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [1,1,0,0,0,0|0,0,0]=2 227 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [1,1,0,0,0,0|2,0,0]=4 228 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [1,1,0,0,0,0|2,0,0]=4 229 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [1,1,0,0,0,0|2,0,0]=4 230 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [1,1,0,0,0,0|0,0,0]=2 231 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [1,1,0,0,0,0|0,0,0]=2 232 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [1,1,0,0,0,0|1,0,0]=3 233 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [1,1,0,0,0,0|1,0,1]=4 234 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [1,1,0,0,0,0|1,0,1]=4 235 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [1,1,0,0,0,0|2,0,0]=4 236 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [1,1,0,0,0,0|0,0,1]=3 237 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [1,1,0,0,0,0|0,1,1]=4 238 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [1,1,0,0,0,0|1,0,0]=3 239 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [1,1,0,0,0,0|2,0,0]=4 240 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [1,1,0,0,0,0|1,0,1]=4 241 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [1,1,0,0,0,0|1,0,1]=4 242 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [1,1,0,0,0,0|1,0,1]=4 243 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [1,1,0,0,0,0|1,0,0]=3 244 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [1,1,0,0,0,0|0,0,0]=2 245 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [1,1,0,0,0,0|0,0,0]=2 246 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [1,1,0,0,0,0|0,1,0]=3 247 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [1,1,0,0,0,0|2,0,0]=4 248 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [1,1,0,0,0,0|2,0,0]=4 249 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [1,1,0,0,0,0|2,0,0]=4 250 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [1,1,0,0,0,0|0,0,2]=4 251 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [1,1,0,0,0,0|1,0,1]=4 252 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,1,0,0,0,0|1,0,1]=4 253 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [1,1,0,0,0,0|1,0,0]=3 254 B10R0.4 CCCCCCC=NN(C)C CNP0085650.0 [1,1,0,0,0,0|2,0,0]=4 255 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [1,1,0,0,0,0|1,0,1]=4 256 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,1,0,0,0,0|1,0,1]=4 257 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,1,0,0,0,0|1,0,1]=4 258 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,1,0,0,0,0|0,0,2]=4 259 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [1,1,0,0,0,0|1,0,1]=4 260 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,1,0,0,0,0|1,0,1]=4 261 B10R0.71 CCC#CC=CCCCCC CNP0109430.0 [1,1,0,0,0,0|1,0,1]=4 262 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [1,1,0,0,0,0|1,0,1]=4 263 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,1,0,0,0,0|1,0,0]=3 264 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,1,0,0,0,0|1,0,0]=3 265 B10R0.71 CCCC#CCCCCCC CNP0606026.0 [1,1,0,0,0,0|1,0,1]=4 266 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [1,1,0,0,0,0|1,0,0]=3 267 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [1,1,0,0,0,0|1,0,1]=4 268 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [1,1,0,0,0,0|1,0,1]=4 269 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [1,1,0,0,0,0|1,0,1]=4 270 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,1,0,0,0,0|1,0,0]=3 271 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,1,0,0,0,0|2,0,0]=4 272 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,1,0,0,0,0|1,0,1]=4 273 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,1,0,0,0,0|1,0,1]=4 274 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,1,0,0,0,0|1,0,1]=4 275 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,1,0,0,0,0|1,0,1]=4 276 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,1,0,0,0,0|1,0,1]=4 277 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,1,0,0,0,0|1,0,1]=4 278 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,1,0,0,0,0|1,0,1]=4 279 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,1,0,0,0,0|0,0,1]=3 280 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,1,0,0,0,0|1,0,1]=4 281 B10R0.71 CCCCOCCOCCO CNP0079968.0 [1,1,0,0,0,0|1,0,1]=4 282 B10R0.71 CCOCCOCCOCC CNP0581610.0 [1,1,0,0,0,0|1,0,1]=4 283 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,1,0,0,0,0|1,0,1]=4 284 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [1,1,0,0,0,0|1,0,1]=4 285 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [1,1,0,0,0,0|1,0,1]=4 286 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [1,1,0,0,0,0|1,0,1]=4 287 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [1,1,0,0,0,0|1,0,1]=4 288 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [1,1,0,0,0,0|1,0,1]=4 289 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [1,1,0,0,0,0|1,0,1]=4 290 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [1,1,0,0,0,0|2,0,0]=4 291 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [1,1,0,0,0,0|0,0,1]=3 292 B10R0.41 CCCCCCC(=NO)CC CNP0390787.0 [1,1,0,0,0,0|0,0,1]=3 293 B10R0.41 CCCCCCC(OC)OC CNP0402550.0 [1,1,0,0,0,0|0,0,2]=4 294 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [1,1,0,0,0,0|1,0,1]=4 295 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [1,1,0,0,0,0|0,0,1]=3 296 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [1,1,0,0,0,0|1,0,1]=4 297 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [1,1,0,0,0,0|0,0,0]=2 298 B10R0.59 CC/C(=C/CC[C@@H](O)CC)/C CNP0213896.1 [1,1,0,0,0,0|1,0,1]=4 299 B10R0.59 CC/C(=C/CC[C@H](O)CC)/C CNP0213896.2 [1,1,0,0,0,0|1,0,1]=4 300 B10R0.59 CCC(C)CCCC(C)CC CNP0203381.0 [1,1,0,0,0,0|1,0,1]=4 301 B10R0.59 COC(=O)CCCC(=O)OC CNP0334682.0 [1,1,0,0,0,0|1,0,1]=4 302 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [1,1,0,0,0,0|1,0,1]=4 303 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [1,1,0,0,0,0|1,0,0]=3 304 B12R0.4 CCCCCC=CC(=O)NC(C)C CNP0179463.0 [0,2,0,0,0,0|1,0,1]=4 305 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,2,0,0,0,0|0,0,1]=3 306 B12R0.4 CCCCCCOC(=O)CC(C)C CNP0187690.0 [0,2,0,0,0,0|1,0,0]=3 307 B12R0.4 CCCCCCOC(=O)CC(C)S CNP0003261.0 [0,2,0,0,0,0|1,0,0]=3 308 B12R0.125 CC(C)(C)OC(=O)CCCCCBr CNP0318993.0 [0,2,0,0,0,0|1,0,0]=3 309 B12R0.125 CC(C)(C)OC(=O)NCCCCN CNP0052887.0 [0,2,0,0,0,0|2,0,0]=4 310 B12R0.241 CC[C@H](C)CCOC(=O)CC(C)C CNP0310686.1 [0,2,0,0,0,0|2,0,0]=4 311 B12R0.270 CC(C)CCCOC(=O)CC(C)C CNP0076997.0 [0,2,0,0,0,0|2,0,0]=4 312 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,2,0,0,0,0|1,0,1]=4 313 B12R0.1 CCCCCC=CCC(=O)OCC CNP0584413.0 [0,2,0,0,0,0|0,0,0]=2 314 B12R0.1 CCCCCCC#CC(=O)OCC CNP0031634.0 [0,2,0,0,0,0|0,0,0]=2 315 B12R0.1 CCCCCCC=CC(=O)OCC CNP0307887.0 [0,2,0,0,0,0|0,0,0]=2 316 B12R0.1 CCCCCCCCC(=O)OCC CNP0255123.0 [0,2,0,0,0,0|0,0,0]=2 317 B12R0.1 CCCCCCCOC(=O)CCC CNP0077240.0 [0,2,0,0,0,0|1,0,0]=3 318 B12R0.49 CC=C(C)C(=O)OCCCCCC CNP0081467.0 [0,2,0,0,0,0|1,0,1]=4 319 B12R0.49 CCCCCCCC(=O)C(=O)OC CNP0530649.0 [0,2,0,0,0,0|2,0,0]=4 320 B12R0.49 CCCCCCOC(=O)[C@@H](C)CC CNP0268240.2 [0,2,0,0,0,0|1,0,0]=3 321 B12R0.49 CCCCCCOC(=O)[C@H](C)CC CNP0268240.1 [0,2,0,0,0,0|1,0,0]=3 322 B12R0.101 CCCCC(C)COC(=O)CCC CNP0076629.0 [0,2,0,0,0,0|1,0,0]=3 323 B12R0.101 CCCC[C@@H](C)CCC(=O)OCC CNP0177367.1 [0,2,0,0,0,0|0,0,0]=2 324 B12R0.114 CC/C=C\CC[C@@H](O)C(=O)OCC CNP0218983.1 [0,2,0,0,0,0|0,0,1]=3 325 B12R0.114 CCCCCC[C@@H](O)C(=O)OCC CNP0292543.1 [0,2,0,0,0,0|0,0,0]=2 326 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [0,2,0,0,0,0|0,0,1]=3 327 B12R0.206 CCCCCCCC(=O)CCCC CNP0528685.0 [0,2,0,0,0,0|1,0,0]=3 328 B12R0.206 CCCCCCCC(=O)OCCC CNP0248076.0 [0,2,0,0,0,0|0,0,0]=2 329 B12R0.206 CCCCCCOC(=O)CCCC CNP0076877.0 [0,2,0,0,0,0|1,0,0]=3 330 B12R0.239 CCC=CCC(O)CC(=O)OCC CNP0305123.0 [0,2,0,0,0,0|0,0,1]=3 331 B12R0.239 CCCCCC(C)OC(=O)CCC CNP0481243.0 [0,2,0,0,0,0|1,0,0]=3 332 B12R0.239 CCCCC[C@@H](O)CC(=O)OCC CNP0379134.1 [0,2,0,0,0,0|0,0,0]=2 333 B12R0.239 CCCCOC(=O)CC(=O)OCC CNP0203043.0 [0,2,0,0,0,0|0,0,1]=3 334 B12R0.276 CCOC(=O)CCCC[C@@H](C)CC CNP0170449.1 [0,2,0,0,0,0|0,0,0]=2 335 B12R0.277 CCOC(=O)/C=C/CCC[C@H](C)O CNP0117476.1 [0,2,0,0,0,0|0,0,1]=3 336 B12R0.285 CCCC(=O)OCC[C@@H](S)CCC CNP0002774.1 [0,2,0,0,0,0|1,0,0]=3 337 B12R0.285 CCOC(=O)CCCC(=O)OCC CNP0480241.0 [0,2,0,0,0,0|0,0,1]=3 338 B12R0.69 CCOC(=O)C[C@@H](O)C(=O)OCC CNP0137916.1 [0,2,0,0,0,0|1,0,1]=4 339 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC CNP0137916.2 [0,2,0,0,0,0|1,0,1]=4 340 B12R0.47 CCCCCCC(=O)OCCCC CNP0305116.0 [0,2,0,0,0,0|0,0,0]=2 341 B12R0.47 CCCCCOC(=O)CCCCC CNP0135873.0 [0,2,0,0,0,0|2,0,0]=4 342 B12R0.95 CCCCC(=O)OCCCC(C)C CNP0320343.0 [0,2,0,0,0,0|2,0,0]=4 343 B12R0.95 CCCOC(=O)NCCCN(C)C CNP0348045.0 [0,2,0,0,0,0|2,0,0]=4 344 B12R0.111 CCCCCC=C(C=O)CCCC CNP0422738.0 [0,2,0,0,0,0|1,0,1]=4 345 B12R0.255 CCCCCCC(=O)CCC(=O)C CNP0196471.0 [0,2,0,0,0,0|1,0,0]=3 346 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [0,2,0,0,0,0|1,0,1]=4 347 B12R0.255 CCCCCCC(=O)NCC(=O)O CNP0038002.0 [0,2,0,0,0,0|1,0,1]=4 348 B12R0.255 CCCCCCC(=O)OCC(C)C CNP0370161.0 [0,2,0,0,0,0|0,0,0]=2 349 B12R0.255 CCCCCOC(=O)CCC(=O)C CNP0609109.0 [0,2,0,0,0,0|2,0,0]=4 350 B12R0.255 CCCCCOC(=O)CCC(C)C CNP0532674.0 [0,2,0,0,0,0|2,0,0]=4 351 B12R0.648 CCCCOC(=O)C(=O)OCCC CNP0489961.0 [0,2,0,0,0,0|1,0,1]=4 352 B12R0.86 CCC(C)C(=O)OCCCC(C)C CNP0220928.0 [0,2,0,0,0,0|2,0,0]=4 353 B12R0.203 CCCCCC[C@@H](CCC)C(=O)O CNP0589459.1 [0,2,0,0,0,0|1,0,1]=4 354 B12R0.205 CCCCCCC(OCC)OCC CNP0294296.0 [0,2,0,0,0,0|0,0,2]=4 355 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [1,0,0,1,0,0|0,0,2]=4 356 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [1,0,0,1,0,0|2,0,0]=4 357 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [1,0,0,1,0,0|1,0,0]=3 358 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [1,0,0,1,0,0|1,0,0]=3 359 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [1,0,0,1,0,0|0,0,2]=4 360 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [1,0,0,1,0,0|0,0,0]=2 361 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [1,0,0,1,0,0|1,0,0]=3 362 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [1,0,0,1,0,0|1,0,0]=3 363 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [1,0,0,1,0,0|2,0,0]=4 364 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [1,0,0,1,0,0|1,0,1]=4 365 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [1,0,0,1,0,0|1,0,1]=4 366 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [1,0,0,1,0,0|1,0,1]=4 367 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [1,0,0,1,0,0|1,0,0]=3 368 B10R1.185 C1CCCCCCCCC1 CNP0529209.0 [1,0,0,1,0,0|1,0,1]=4 369 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [1,0,0,1,0,0|0,0,2]=4 370 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [1,0,0,1,0,0|1,0,0]=3 371 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [1,0,0,1,0,0|1,0,0]=3 372 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [1,0,0,1,0,0|0,0,2]=4 373 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [1,0,0,1,0,0|0,0,0]=2 374 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [1,0,0,1,0,0|1,0,0]=3 375 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [1,0,0,1,0,0|0,0,0]=2 376 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [1,0,0,1,0,0|1,0,0]=3 377 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [1,0,0,1,0,0|1,0,0]=3 378 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [1,0,0,1,0,0|1,0,1]=4 379 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [1,0,0,1,0,0|2,0,0]=4 380 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [1,0,0,1,0,0|1,0,0]=3 381 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [1,0,0,1,0,0|1,0,0]=3 382 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [1,0,0,1,0,0|1,0,1]=4 383 B10R1.149 COC(=O)[C@@H]1CCCN1N CNP0562271.1 [1,0,0,1,0,0|2,0,0]=4 384 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,1,0,1,0,0|1,0,1]=4 385 B12R1.141 C[C@@H]1CCC/C=C\CCC(=O)O1 CNP0199494.1 [0,1,0,1,0,0|0,0,1]=3 386 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,1,0,1,0,0|0,0,0]=2 387 B12R1.141 C[C@H]1CCC/C=C\CCC(=O)O1 CNP0199494.2 [0,1,0,1,0,0|0,0,1]=3 388 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,1,0,1,0,0|0,0,0]=2 389 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@@H]1O CNP0268314.3 [0,1,0,1,0,0|2,0,0]=4 390 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@H]1O CNP0268314.4 [0,1,0,1,0,0|2,0,0]=4 391 B12R1.456 CCCCC[C@H]1OC(=O)C[C@@H]1O CNP0268314.2 [0,1,0,1,0,0|2,0,0]=4 392 B12R1.456 CCCCC[C@H]1OC(=O)C[C@H]1O CNP0268314.1 [0,1,0,1,0,0|2,0,0]=4 393 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,1,0,1,0,0|2,0,0]=4 394 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,1,0,0|1,0,1]=4 395 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,1,0,1,0,0|1,0,1]=4 396 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,1,0,1,0,0|1,0,0]=3 397 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,1,0,0|1,0,1]=4 398 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,1,0,1,0,0|1,0,0]=3 399 B12R1.32 CCCC(=O)C[C@H]1CCCCN1 CNP0276525.1 [0,1,0,1,0,0|1,0,0]=3 400 B12R1.32 CCCC(=O)OC1CCCCC1 CNP0321594.0 [0,1,0,1,0,0|1,0,0]=3 401 B12R1.32 CCOC(=O)CC1CCCCC1 CNP0076528.0 [0,1,0,1,0,0|0,0,0]=2 402 B12R1.32 CCOC(=O)CN1CCNCC1 CNP0516329.0 [0,1,0,1,0,0|1,0,0]=3 403 B12R1.51 CCCC(=O)OCC1CCCO1 CNP0002928.0 [0,1,0,1,0,0|2,0,0]=4 404 B12R1.51 CCOC(=O)C=CN1CCCC1 CNP0039494.0 [0,1,0,1,0,0|0,0,2]=4 405 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|0,0,1]=3 406 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O CNP0186467.1 [0,1,0,1,0,0|1,0,1]=4 407 B12R1.372 CCC=CCCC1CCCC1=O CNP0076899.0 [0,1,0,1,0,0|1,0,1]=4 408 B12R1.1564 CCSC(=O)N1CCCCCC1 CNP0035361.0 [0,1,0,1,0,0|0,1,0]=3 409 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,1,0,1,0,0|2,0,0]=4 410 B12R1.1114 CCCC1C(CC(=O)N1CC)C CNP0422080.0 [0,1,0,1,0,0|1,0,0]=3 411 B12R1.17 CCOC(=O)[C@@H]1CCCN(C1)C CNP0189022.1 [0,1,0,1,0,0|1,0,0]=3 412 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C CNP0189022.2 [0,1,0,1,0,0|1,0,0]=3 413 B12R1.8 CCCCCCC1=CCCCC1 CNP0080554.0 [0,1,0,1,0,0|2,0,0]=4 414 B12R1.267 CCCCCC1CCCOC1=O CNP0206110.0 [0,1,0,1,0,0|0,0,0]=2 415 B12R1.567 CCCCCC1=C(CCC1=O)C CNP0354329.0 [0,1,0,1,0,0|1,0,1]=4 416 B12R1.317 CCOC(=O)[C@@H]1CCC[N+]1(C)C CNP0263585.1 [0,1,0,1,0,0|1,0,0]=3 417 B12R1.861 CC(C)CCC1NC(=O)OC1C CNP0571291.0 [0,1,0,1,0,0|1,0,0]=3 418 B12R2.229 O=C1CCCC[C@H]2[C@@H]1CCC2 CNP0201109.1 [0,0,0,2,0,0|1,0,0]=3 419 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,2,0,0|1,0,1]=4 420 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,2,0,0|0,0,0]=2 421 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,0,0,2,0,0|2,0,0]=4 422 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,0,0,2,0,0|2,0,0]=4 423 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,2,0,0|0,0,0]=2 424 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,2,0,0|0,0,0]=2 425 B12R2.203 C[C@@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.1 [0,0,0,2,0,0|0,0,0]=2 426 B12R2.203 C[C@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.2 [0,0,0,2,0,0|0,0,0]=2 427 B12R2.612 C[C@@H]1CC[C@H]2[C@@H]1COC(=O)C2 CNP0210998.1 [0,0,0,2,0,0|0,0,0]=2