0 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,0,0,0,0,0|0,0,2]=2 2 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,0,0,0,0,0|0,1,2]=3 3 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,0,0,0,0,0|1,0,1]=2 4 B10R0.91 CCCCC(=O)C#CCCO CNP0155413.0 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,0,0,0,0,0|1,0,0]=1 11 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,0,0,0,0,0|0,0,0]=0 12 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,0,0,0,0,0|1,0,0]=1 13 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,0,0,0,0,0|0,1,0]=1 14 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [0,0,0,0,0,0|2,0,1]=3 15 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [0,0,0,0,0,0|2,0,1]=3 17 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,0,0,0,0,0|2,0,0]=2 19 B10R0.91 CCCCS[S@+]([O-])CCCC CNP0524269.1 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.91 CCCCS[S@H+]([O-])CCCC CNP0530944.1 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [0,0,0,0,0,0|2,0,0]=2 22 B10R0.91 O=C(CNCCO)NCCO CNP0450726.0 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,0,0,0,0,0|0,0,2]=3 24 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [1,0,0,0,0,0|0,0,2]=3 25 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,0,0,0,0,0|0,0,2]=3 27 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,0,0,0,0,0|1,0,2]=4 28 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,0,0,0,0,0|0,0,2]=3 29 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [1,0,0,0,0,0|0,0,2]=3 30 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,0,0,0,0,0|1,0,1]=3 31 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [1,0,0,0,0,0|0,0,2]=3 32 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,0,0,0,0,0|0,0,0]=1 33 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,0,0,0,0,0|1,0,0]=2 34 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,0,0,0,0,0|0,0,0]=1 35 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,0,0,0,0,0|1,0,1]=3 36 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [1,0,0,0,0,0|0,0,2]=3 37 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [1,0,0,0,0,0|1,0,2]=4 38 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [1,0,0,0,0,0|1,0,0]=2 39 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [1,0,0,0,0,0|1,0,1]=3 41 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,0,0,0,0,0|1,0,0]=2 42 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [1,0,0,0,0,0|0,0,2]=3 43 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [1,0,0,0,0,0|1,0,0]=2 44 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [1,0,0,0,0,0|0,0,0]=1 45 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [1,0,0,0,0,0|2,0,0]=3 46 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [1,0,0,0,0,0|2,0,0]=3 48 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,0,0,0,0,0|1,0,2]=4 49 B9R0.45 CCC#CCCCCCC CNP0606734.0 [1,0,0,0,0,0|1,0,2]=4 50 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,0,0,0,0|1,0,2]=4 51 B9R0.45 CCCC#CCCCCC CNP0576219.0 [1,0,0,0,0,0|1,0,1]=3 52 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,0,0,0,0,0|1,0,0]=2 53 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,0,0,0,0,0|2,0,0]=3 55 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,0,0,0,0,0|1,0,1]=3 56 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,0,0,0,0,0|0,0,1]=2 61 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.45 CCCCOCCCCO CNP0571704.0 [1,0,0,0,0,0|3,0,0]=4 63 B11R0.5 CCCCC(C)CC(C)CCC CNP0574073.0 [0,1,0,0,0,0|2,0,1]=4 64 B11R0.11 C=C(CCCC)C(C)CCCC CNP0244718.0 [0,1,0,0,0,0|2,0,0]=3 65 B11R0.46 CCCCCC(=O)C=CC(C)C CNP0585991.0 [0,1,0,0,0,0|1,0,1]=3 66 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,1,0,0,0,0|1,0,1]=3 67 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,1,0,0,0,0|2,0,1]=4 68 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [0,1,0,0,0,0|2,0,1]=4 69 B11R0.46 CCCCCC(=O)NCC(C)C CNP0299314.0 [0,1,0,0,0,0|1,0,0]=2 70 B11R0.46 CCCCCC(=O)OCC(C)C CNP0258306.0 [0,1,0,0,0,0|0,0,0]=1 71 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,1,0,0,0,0|2,0,1]=4 72 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [0,1,0,0,0,0|2,0,1]=4 73 B11R0.70 CCCCC(=O)OCC(C)CC CNP0444894.0 [0,1,0,0,0,0|2,0,0]=3 74 B11R0.70 CCCCC(=O)OC[C@H](O)CO CNP0081553.1 [0,1,0,0,0,0|3,0,0]=4 75 B11R0.70 CCCCC(C)CCC(C)CC CNP0547533.0 [0,1,0,0,0,0|2,0,1]=4 76 B11R0.81 C=C(CCCC)OCCCCC CNP0385438.0 [0,1,0,0,0,0|2,0,0]=3 77 B11R0.81 C=CCOC(=O)CCCCCC CNP0085340.0 [0,1,0,0,0,0|0,0,2]=3 78 B11R0.81 CCCC=COC(=O)CCCC CNP0496892.0 [0,1,0,0,0,0|1,0,2]=4 79 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,1,0,0,0,0|2,0,1]=4 80 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [0,1,0,0,0,0|0,0,0]=1 81 B11R0.81 CCCCCCC(C)CCCC CNP0536101.0 [0,1,0,0,0,0|2,0,1]=4 82 B11R0.81 CCCCCOC(=O)CCCC CNP0079884.0 [0,1,0,0,0,0|1,0,0]=2 83 B11R0.140 CCCC=CC(=O)OCCCC CNP0076599.0 [0,1,0,0,0,0|0,0,2]=3 84 B11R0.140 CCCCCC(=O)CCCCC CNP0003552.0 [0,1,0,0,0,0|1,0,0]=2 85 B11R0.140 CCCCCC(=O)OCCCC CNP0132269.0 [0,1,0,0,0,0|0,0,0]=1 86 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [0,1,0,0,0,0|1,0,2]=4 87 B11R0.140 CCCCNC(=O)OC#CCI CNP0273215.0 [0,1,0,0,0,0|1,0,2]=4 88 B11R0.140 CCCCOC(C)OCCCC CNP0262484.0 [0,1,0,0,0,0|2,0,1]=4 89 B11R0.147 CCCCC(=O)OCCC(C)C CNP0141436.0 [0,1,0,0,0,0|2,0,0]=3 90 B11R0.152 CCCCCC(CC)CCCC CNP0573841.0 [0,1,0,0,0,0|2,0,1]=4 91 B11R0.154 CCCCCC(O)CC(O)CC CNP0502032.0 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.17 CC#CC[C@H]1CCCCC1=O CNP0076380.1 [0,0,0,1,0,0|1,0,2]=4 93 B11R1.17 CC=CCC1CCCCC1=O CNP0520836.0 [0,0,0,1,0,0|1,0,2]=4 94 B11R1.17 N#CCC[C@@H]1CCCCC1=O CNP0389654.1 [0,0,0,1,0,0|2,0,1]=4 95 B11R1.17 N#CCC[C@H]1CCCCC1=O CNP0389654.2 [0,0,0,1,0,0|2,0,1]=4 96 B11R1.27 CCCCCC1=NC(=CO1)C CNP0193931.0 [0,0,0,1,0,0|1,0,2]=4 97 B11R1.27 CCCCCC1OCC(O1)C CNP0002828.0 [0,0,0,1,0,0|0,0,2]=3 98 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [0,0,0,1,0,0|2,0,0]=3 99 B11R1.28 CCCCCC1=NCCCC1 CNP0532846.0 [0,0,0,1,0,0|2,0,0]=3 100 B11R1.28 CCCCCC1CCCCC1 CNP0356632.0 [0,0,0,1,0,0|2,0,1]=4 101 B11R1.28 CCCCCC1CCCCN1 CNP0582623.0 [0,0,0,1,0,0|2,0,1]=4 102 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [0,0,0,1,0,0|2,0,1]=4 103 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,0,1,0,0|0,0,2]=3 104 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,0,0,1,0,0|1,0,2]=4 105 B11R1.203 CCCCC1=NCCCCC1 CNP0427788.0 [0,0,0,1,0,0|2,0,0]=3 106 B11R1.285 CCCCC(=O)OCC1CO1 CNP0216897.0 [0,0,0,1,0,0|3,0,0]=4 107 B11R1.465 CCCCC1=C(COC1=O)C CNP0288035.0 [0,0,0,1,0,0|0,0,2]=3 108 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [2,0,0,0,0,0|0,0,2]=4 109 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [2,0,0,0,0,0|0,0,2]=4 110 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [2,0,0,0,0,0|0,0,2]=4 111 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [2,0,0,0,0,0|1,0,0]=3 112 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [2,0,0,0,0,0|0,0,0]=2 113 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [2,0,0,0,0,0|0,0,0]=2 114 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [2,0,0,0,0,0|1,0,1]=4 115 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [2,0,0,0,0,0|0,0,2]=4 116 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [2,0,0,0,0,0|0,0,0]=2 117 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [2,0,0,0,0,0|1,0,1]=4 118 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [2,0,0,0,0,0|1,0,0]=3 119 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [2,0,0,0,0,0|1,0,0]=3 120 B8R0.4 CC=C=CCCCCC CNP0555445.0 [2,0,0,0,0,0|0,0,2]=4 121 B8R0.4 CCC=CCCCCC CNP0539420.0 [2,0,0,0,0,0|0,0,1]=3 122 B8R0.4 CCC=CCCCCO CNP0192139.0 [2,0,0,0,0,0|1,0,1]=4 123 B8R0.4 CCCC#CCCCC CNP0399647.0 [2,0,0,0,0,0|0,0,2]=4 124 B8R0.4 CCCC=CCCCC CNP0594829.0 [2,0,0,0,0,0|0,0,1]=3 125 B8R0.4 CCCC=CCCCO CNP0085599.0 [2,0,0,0,0,0|1,0,1]=4 126 B8R0.4 CCCCC=CCCO CNP0221419.0 [2,0,0,0,0,0|1,0,1]=4 127 B8R0.4 CCCCCC=CCO CNP0113756.0 [2,0,0,0,0,0|1,0,1]=4 128 B8R0.4 CCCCCCCCC CNP0402619.0 [2,0,0,0,0,0|0,0,1]=3 129 B8R0.4 CCCCCCCCN CNP0065900.0 [2,0,0,0,0,0|1,0,1]=4 130 B8R0.4 CCCCCCCCO CNP0368614.0 [2,0,0,0,0,0|1,0,1]=4 131 B8R0.4 CCCCCCCNC CNP0216624.0 [2,0,0,0,0,0|1,0,1]=4 132 B8R0.4 CCCCCCOCC CNP0609034.0 [2,0,0,0,0,0|0,0,1]=3 133 B8R0.4 CCCCNCCCC CNP0203128.0 [2,0,0,0,0,0|1,0,1]=4 134 B8R0.4 CCCCOCCCC CNP0077266.0 [2,0,0,0,0,0|1,0,1]=4 135 B8R0.4 CCCCSCCCC CNP0370059.0 [2,0,0,0,0,0|1,0,1]=4 136 B8R0.4 CCCCSSCCC CNP0003137.0 [2,0,0,0,0,0|1,1,0]=4 137 B8R0.4 CCOCCOCCO CNP0079970.0 [2,0,0,0,0,0|2,0,0]=4 138 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [2,0,0,0,0,0|0,0,2]=4 139 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [2,0,0,0,0,0|0,0,2]=4 140 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [2,0,0,0,0,0|0,0,2]=4 141 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [2,0,0,0,0,0|0,0,2]=4 142 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [2,0,0,0,0,0|0,0,2]=4 143 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [2,0,0,0,0,0|0,0,0]=2 144 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [2,0,0,0,0,0|1,0,0]=3 145 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [2,0,0,0,0,0|0,0,0]=2 146 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [2,0,0,0,0,0|0,1,0]=3 147 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [2,0,0,0,0,0|0,0,2]=4 148 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [2,0,0,0,0,0|1,0,1]=4 149 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [2,0,0,0,0,0|0,0,2]=4 150 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [2,0,0,0,0,0|1,0,0]=3 151 B8R0.6 COC(=O)CCCSC CNP0313998.0 [2,0,0,0,0,0|1,0,0]=3 152 B8R0.6 COCCCC(=O)OC CNP0580088.0 [2,0,0,0,0,0|1,0,0]=3 153 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [1,1,0,0,0,0|0,0,2]=4 154 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [1,1,0,0,0,0|0,0,1]=3 155 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [1,1,0,0,0,0|0,0,0]=2 156 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [1,1,0,0,0,0|1,0,0]=3 157 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [1,1,0,0,0,0|1,0,0]=3 158 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [1,1,0,0,0,0|0,0,2]=4 159 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [1,1,0,0,0,0|0,0,1]=3 160 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [1,1,0,0,0,0|1,0,0]=3 161 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [1,1,0,0,0,0|0,0,0]=2 162 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [1,1,0,0,0,0|0,0,2]=4 163 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [1,1,0,0,0,0|1,0,1]=4 164 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [1,1,0,0,0,0|0,0,0]=2 165 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [1,1,0,0,0,0|1,0,1]=4 166 B10R0.1 CCCN(N)CCCCCN CNP0546326.0 [1,1,0,0,0,0|2,0,0]=4 167 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [1,1,0,0,0,0|0,0,0]=2 168 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [1,1,0,0,0,0|0,0,1]=3 169 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [1,1,0,0,0,0|1,0,1]=4 170 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [1,1,0,0,0,0|1,0,0]=3 171 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [1,1,0,0,0,0|0,0,0]=2 172 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [1,1,0,0,0,0|1,0,1]=4 173 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [1,1,0,0,0,0|1,0,1]=4 174 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [1,1,0,0,0,0|2,0,0]=4 175 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [1,1,0,0,0,0|1,0,1]=4 176 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [1,1,0,0,0,0|1,0,0]=3 177 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [1,1,0,0,0,0|1,0,1]=4 178 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [1,1,0,0,0,0|0,0,2]=4 179 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [1,1,0,0,0,0|0,0,1]=3 180 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [1,1,0,0,0,0|0,0,0]=2 181 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [1,1,0,0,0,0|0,0,0]=2 182 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [1,1,0,0,0,0|2,0,0]=4 183 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [1,1,0,0,0,0|0,0,2]=4 184 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [1,1,0,0,0,0|1,0,1]=4 185 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [1,1,0,0,0,0|0,0,0]=2 186 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [1,1,0,0,0,0|1,0,1]=4 187 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [1,1,0,0,0,0|1,0,0]=3 188 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [1,1,0,0,0,0|1,0,0]=3 189 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [1,1,0,0,0,0|1,0,0]=3 190 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [1,1,0,0,0,0|2,0,0]=4 191 B10R0.19 CCCCC(C)C(C)CCC CNP0086078.0 [1,1,0,0,0,0|1,0,1]=4 192 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [1,1,0,0,0,0|0,0,0]=2 193 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [1,1,0,0,0,0|0,0,0]=2 194 B10R0.19 CCCC[C@H](O)[C@@H](C)CCC CNP0167037.1 [1,1,0,0,0,0|1,0,1]=4 195 B10R0.19 CCCC[C@H](O)[C@H](C)CCC CNP0167037.2 [1,1,0,0,0,0|1,0,1]=4 196 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [1,1,0,0,0,0|1,0,0]=3 197 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [1,1,0,0,0,0|0,0,1]=3 198 B10R0.24 CCCCCC(CO)CCC CNP0552368.0 [1,1,0,0,0,0|0,0,2]=4 199 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [1,1,0,0,0,0|0,0,2]=4 200 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [1,1,0,0,0,0|1,0,0]=3 201 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [1,1,0,0,0,0|1,0,0]=3 202 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [1,1,0,0,0,0|2,0,0]=4 203 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [1,1,0,0,0,0|2,0,0]=4 204 B10R0.156 CCCCCC(C)(C)CCC CNP0534660.0 [1,1,0,0,0,0|1,0,1]=4 205 B10R0.16 CCCCC(=NO)CCCC CNP0565375.0 [1,1,0,0,0,0|1,0,1]=4 206 B10R0.16 CCCCC(C=O)CCCC CNP0136450.0 [1,1,0,0,0,0|1,0,1]=4 207 B10R0.16 CCCCN(C=O)CCCC CNP0611669.0 [1,1,0,0,0,0|2,0,0]=4 208 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [1,1,0,0,0,0|0,0,0]=2 209 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [1,1,0,0,0,0|0,0,1]=3 210 B10R0.116 CCCCP(=O)(C)CCCC CNP0168012.0 [1,1,0,0,0,0|2,0,0]=4 211 B10R0.116 CCCCP(=O)(O)CCCC CNP0022699.0 [1,1,0,0,0,0|2,0,0]=4 212 B10R0.116 CCCC[Si](C)(C)OCCC CNP0504049.0 [1,1,0,0,0,0|1,1,0]=4 213 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [1,1,0,0,0,0|1,0,1]=4 214 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [1,1,0,0,0,0|1,0,1]=4 215 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,1,0,0,0,0|1,0,1]=4 216 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,1,0,0,0,0|1,0,1]=4 217 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [1,1,0,0,0,0|1,0,1]=4 218 B10R0.71 CCC#CC=CCCCCC CNP0109430.0 [1,1,0,0,0,0|1,0,1]=4 219 B10R0.71 CCCC#CCCCCCC CNP0606026.0 [1,1,0,0,0,0|1,0,1]=4 220 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [1,1,0,0,0,0|1,0,1]=4 221 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [1,1,0,0,0,0|1,0,0]=3 222 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [1,1,0,0,0,0|1,0,0]=3 223 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [1,1,0,0,0,0|1,0,0]=3 224 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [1,1,0,0,0,0|1,0,1]=4 225 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [1,1,0,0,0,0|1,0,1]=4 226 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [1,1,0,0,0,0|1,0,0]=3 227 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,1,0,0,0,0|2,0,0]=4 228 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,1,0,0,0,0|1,0,1]=4 229 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,1,0,0,0,0|1,0,1]=4 230 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,1,0,0,0,0|1,0,1]=4 231 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,1,0,0,0,0|1,0,1]=4 232 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,1,0,0,0,0|1,0,1]=4 233 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,1,0,0,0,0|1,0,1]=4 234 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,1,0,0,0,0|1,0,1]=4 235 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,1,0,0,0,0|1,0,1]=4 236 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,1,0,0,0,0|1,0,1]=4 237 B10R0.71 CCCCOCCOCCO CNP0079968.0 [1,1,0,0,0,0|1,0,1]=4 238 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,1,0,0,0,0|1,0,1]=4 239 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [1,1,0,0,0,0|1,0,1]=4 240 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [1,1,0,0,0,0|1,0,1]=4 241 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [1,1,0,0,0,0|1,0,1]=4 242 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [1,1,0,0,0,0|1,0,1]=4 243 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [1,1,0,0,0,0|1,0,1]=4 244 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [1,1,0,0,0,0|0,0,2]=4 245 B12R0.69 CCCC(C)OC(=O)C(C)CCC CNP0148125.0 [0,2,0,0,0,0|2,0,0]=4 246 B12R0.103 CCCCC(=O)NC(=O)CCCC CNP0292936.0 [0,2,0,0,0,0|1,0,1]=4 247 B12R0.103 CCCCC(=O)OC(=O)CCCC CNP0106392.0 [0,2,0,0,0,0|1,0,1]=4 248 B12R0.239 CCCCCC(=O)OC(C)CCC CNP0481029.0 [0,2,0,0,0,0|0,0,0]=2 249 B12R0.239 CCCCCC(C)OC(=O)CCC CNP0481243.0 [0,2,0,0,0,0|1,0,1]=4 250 B12R0.239 CCCCOC(=O)CC(=O)OCC CNP0203043.0 [0,2,0,0,0,0|1,0,1]=4 251 B12R0.648 CCCCOC(=O)C(=O)OCCC CNP0489961.0 [0,2,0,0,0,0|0,0,1]=3 252 B12R0.44 CC(C)CCCC(=O)CCC(C)C CNP0268061.0 [0,2,0,0,0,0|1,0,0]=3 253 B12R0.44 CC(C)CCNC(=O)CCC(C)C CNP0435204.0 [0,2,0,0,0,0|2,0,0]=4 254 B12R0.44 CC(C)CCOC(=O)CCC(C)C CNP0314746.0 [0,2,0,0,0,0|2,0,0]=4 255 B12R0.142 CCCCCC(=O)CCC(=O)CO CNP0102753.0 [0,2,0,0,0,0|1,0,1]=4 256 B12R0.142 CCCCCC(=O)CCC(=O)OC CNP0204894.0 [0,2,0,0,0,0|1,0,1]=4 257 B12R0.142 CCCCCC(=O)OCC(C)CC CNP0257249.0 [0,2,0,0,0,0|0,0,0]=2 258 B12R0.142 CCCCOC(=O)CCC(=O)OC CNP0325407.0 [0,2,0,0,0,0|1,0,1]=4 259 B12R0.255 CCCCCCC(=O)CCC(=O)C CNP0196471.0 [0,2,0,0,0,0|1,0,1]=4 260 B12R0.255 CCCCCCC(=O)OCC(C)C CNP0370161.0 [0,2,0,0,0,0|0,0,0]=2 261 B12R0.255 CCCCCOC(=O)CCC(=O)C CNP0609109.0 [0,2,0,0,0,0|1,0,1]=4 262 B12R0.255 CCCCCOC(=O)CCC(C)C CNP0532674.0 [0,2,0,0,0,0|1,0,0]=3 263 B12R0.47 CCC=CCOC(=O)CCCCC CNP0003217.0 [0,2,0,0,0,0|0,0,0]=2 264 B12R0.47 CCCC=COC(=O)CCCCC CNP0547534.0 [0,2,0,0,0,0|0,0,0]=2 265 B12R0.47 CCCCCC(=O)CCCCC#N CNP0136288.0 [0,2,0,0,0,0|1,0,0]=3 266 B12R0.47 CCCCCCC(=O)OCCCC CNP0305116.0 [0,2,0,0,0,0|0,0,0]=2 267 B12R0.47 CCCCCOC(=O)CCCCC CNP0135873.0 [0,2,0,0,0,0|0,0,0]=2 268 B12R0.95 CCCCC(=O)OCCCC(C)C CNP0320343.0 [0,2,0,0,0,0|1,0,0]=3 269 B12R0.95 CCCOC(=O)NCCCN(C)C CNP0348045.0 [0,2,0,0,0,0|1,0,0]=3 270 B12R0.111 CCCCCC=C(C=O)CCCC CNP0422738.0 [0,2,0,0,0,0|1,0,0]=3 271 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [0,2,0,0,0,0|0,0,2]=4 272 B12R0.206 CCC=CCCOC(=O)CCCC CNP0142398.0 [0,2,0,0,0,0|1,0,1]=4 273 B12R0.206 CCCC=CCOC(=O)CCCC CNP0196077.0 [0,2,0,0,0,0|1,0,1]=4 274 B12R0.206 CCCCC=COC(=O)CCCC CNP0548851.0 [0,2,0,0,0,0|1,0,1]=4 275 B12R0.206 CCCCCCCC(=O)CCCC CNP0528685.0 [0,2,0,0,0,0|1,0,0]=3 276 B12R0.206 CCCCCCCC(=O)OCCC CNP0248076.0 [0,2,0,0,0,0|0,0,0]=2 277 B12R0.206 CCCCCCOC(=O)CCCC CNP0076877.0 [0,2,0,0,0,0|1,0,0]=3 278 B12R0.233 C=C(C)CCOC(=O)CCCCC CNP0572994.0 [0,2,0,0,0,0|0,0,0]=2 279 B12R0.233 CCC=CCC(=O)OCCC(C)C CNP0483242.0 [0,2,0,0,0,0|0,0,2]=4 280 B12R0.233 CCCCCC(=O)CCCC(=O)O CNP0370041.0 [0,2,0,0,0,0|1,0,1]=4 281 B12R0.233 CCCCCC(=O)CCC[C@H](C)O CNP0232035.1 [0,2,0,0,0,0|1,0,0]=3 282 B12R0.233 CCCCCC(=O)OCC=C(C)C CNP0333606.0 [0,2,0,0,0,0|0,0,1]=3 283 B12R0.233 CCCCCC(=O)OCCC(C)C CNP0118805.0 [0,2,0,0,0,0|0,0,0]=2 284 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [1,0,0,1,0,0|0,0,2]=4 285 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [1,0,0,1,0,0|1,0,0]=3 286 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [1,0,0,1,0,0|1,0,1]=4 287 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [1,0,0,1,0,0|1,0,1]=4 288 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [1,0,0,1,0,0|1,0,1]=4 289 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [1,0,0,1,0,0|1,0,1]=4 290 B10R1.11 CCCC(C)C1CCCC1 CNP0519344.0 [1,0,0,1,0,0|1,0,1]=4 291 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [1,0,0,1,0,0|1,0,0]=3 292 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [1,0,0,1,0,0|1,0,0]=3 293 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [1,0,0,1,0,0|1,0,1]=4 294 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [1,0,0,1,0,0|2,0,0]=4 295 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [1,0,0,1,0,0|2,0,0]=4 296 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [1,0,0,1,0,0|0,0,2]=4 297 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [1,0,0,1,0,0|0,0,0]=2 298 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [1,0,0,1,0,0|0,0,2]=4 299 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [1,0,0,1,0,0|0,0,0]=2 300 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [1,0,0,1,0,0|1,0,0]=3 301 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [1,0,0,1,0,0|1,0,0]=3 302 B10R1.457 CCCCCC1(CC1C)C CNP0570434.0 [1,0,0,1,0,0|1,0,1]=4 303 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [1,0,0,1,0,0|0,0,0]=2 304 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [1,0,0,1,0,0|2,0,0]=4 305 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [1,0,0,1,0,0|2,0,0]=4 306 B10R1.17 CCCCC1=NCCCC1 CNP0257195.0 [1,0,0,1,0,0|2,0,0]=4 307 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [1,0,0,1,0,0|2,0,0]=4 308 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [1,0,0,1,0,0|2,0,0]=4 309 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [1,0,0,1,0,0|2,0,0]=4 310 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [1,0,0,1,0,0|1,0,0]=3 311 B10R1.185 C1CCCCCCCCC1 CNP0529209.0 [1,0,0,1,0,0|1,0,1]=4 312 B12R1.141 C[C@@H]1CCC/C=C\CCC(=O)O1 CNP0199494.1 [0,1,0,1,0,0|0,0,2]=4 313 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,1,0,1,0,0|0,0,0]=2 314 B12R1.141 C[C@H]1CCC/C=C\CCC(=O)O1 CNP0199494.2 [0,1,0,1,0,0|0,0,2]=4 315 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,1,0,1,0,0|0,0,0]=2 316 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,1,0,1,0,0|1,0,0]=3 317 B12R1.1589 CCC[C@H](O)[C@@H]1C(=O)OC[C@@H]1C CNP0164433.1 [0,1,0,1,0,0|0,0,0]=2 318 B12R1.210 CC(C)C=C1CCCCCC1=O CNP0485302.0 [0,1,0,1,0,0|1,0,1]=4 319 B12R1.8 CCCCCCC1=CCCCC1 CNP0080554.0 [0,1,0,1,0,0|2,0,0]=4 320 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|0,0,1]=3 321 B12R1.267 CCCCCC1CCCOC1=O CNP0206110.0 [0,1,0,1,0,0|0,0,0]=2 322 B12R1.267 O=C1CCCCN1CCCCBr CNP0215527.0 [0,1,0,1,0,0|2,0,0]=4 323 B12R1.567 CCCCCC1=C(CCC1=O)C CNP0354329.0 [0,1,0,1,0,0|1,0,1]=4 324 B12R1.268 C/C=C/1\COC(=O)C[C@@H]1CCO CNP0194245.1 [0,1,0,1,0,0|1,0,1]=4 325 B12R1.268 C/C=C\1/COC(=O)C[C@@H]1CCO CNP0194245.3 [0,1,0,1,0,0|1,0,1]=4 326 B12R1.268 C/C=C\1/COC(=O)C[C@H]1CCO CNP0194245.2 [0,1,0,1,0,0|1,0,1]=4 327 B12R1.455 CCCCCC1=N[C@H](CC1)CC CNP0220013.1 [0,1,0,1,0,0|2,0,0]=4 328 B12R1.874 CC(=O)C[C@@H]1CCCCC(=O)C1 CNP0190031.1 [0,1,0,1,0,0|1,0,1]=4 329 B12R1.1624 CCCC[C@H]1C(=O)O[C@H]([C@@H]1O)C CNP0281721.1 [0,1,0,1,0,0|1,0,0]=3 330 B12R1.1123 CCCC1OC(=O)C(CC1C)C CNP0176824.0 [0,1,0,1,0,0|2,0,0]=4 331 B12R2.41 C1CCC2=NCCCN2CC1 CNP0138756.0 [0,0,0,2,0,0|2,0,0]=4 332 B12R2.229 O=C1CCCC[C@H]2[C@@H]1CCC2 CNP0201109.1 [0,0,0,2,0,0|1,0,0]=3 333 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,2,0,0|1,0,1]=4 334 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,2,0,0|0,0,0]=2 335 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,0,0,2,0,0|2,0,0]=4 336 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,0,0,2,0,0|2,0,0]=4 337 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,2,0,0|0,0,0]=2 338 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,2,0,0|0,0,0]=2 339 B12R2.612 C[C@@H]1CC[C@H]2[C@@H]1COC(=O)C2 CNP0210998.1 [0,0,0,2,0,0|2,0,0]=4 340 B12R2.5121 C[C@@H]1CCC[C@@]2(O1)CCCO2 CNP0276837.2 [0,0,0,2,0,0|0,0,2]=4 341 B12R2.5121 C[C@@H]1CCC[C@]2(O1)CCCO2 CNP0276837.1 [0,0,0,2,0,0|0,0,2]=4 342 B12R2.5121 C[C@H]1CCC[C@]2(O1)CCCO2 CNP0276837.3 [0,0,0,2,0,0|0,0,2]=4 343 B12R2.1154 CN1C2CCC[C@@H]1CC(=O)C2 CNP0115646.3 [0,0,0,2,0,0|2,0,0]=4 344 B12R2.1154 CN1[C@@H]2CCC[C@@H]1CC(=O)C2 CNP0115646.2 [0,0,0,2,0,0|2,0,0]=4 345 B12R2.1154 CN1[C@@H]2CCC[C@H]1CC(=O)C2 CNP0115646.1 [0,0,0,2,0,0|2,0,0]=4 346 B12R2.1858 CC[C@@H]1CC[C@]2(O1)CCCO2 CNP0106414.1 [0,0,0,2,0,0|0,0,2]=4 347 B12R2.1858 CC[C@H]1CC[C@@]2(O1)CCCO2 CNP0106414.3 [0,0,0,2,0,0|0,0,2]=4 348 B12R2.1858 CC[C@H]1CC[C@]2(O1)CCCO2 CNP0106414.2 [0,0,0,2,0,0|0,0,2]=4 349 B12R2.3937 CO[C@@]12CCCN1C(=O)CC2 CNP0106936.1 [0,0,0,2,0,0|2,0,0]=4