0 B10R0.98 CC(=CCOC(=O)C(C)C)C CNP0003209.0 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.98 CC(=CCSC(=O)C(C)C)C CNP0197381.0 [0,0,0,0,0,0|0,1,2]=3 2 B10R0.98 CC(=O)C(=O)OCCC(C)C CNP0002700.0 [0,0,0,0,0,0|1,0,1]=2 3 B10R0.98 CC(C)C(=O)NCCC(=O)O CNP0386107.0 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.98 CC(C)C/C=C/[C@@H](C)C(C)C CNP0596701.1 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.98 CC(C)CCOC(=O)C(C)C CNP0252990.0 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [1,0,0,0,0,0|0,0,0]=1 9 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [1,0,0,0,0,0|0,0,2]=3 14 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [1,0,0,0,0,0|2,0,0]=3 17 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [1,0,0,0,0,0|0,0,0]=1 18 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.55 CC(C)C#CC=CC(C)C CNP0164536.0 [1,0,0,0,0,0|1,0,2]=4 21 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.55 CC(C)CSSCC(C)C CNP0113206.0 [1,0,0,0,0,0|1,1,1]=4 24 B11R0.109 C=C(C)C(=O)OCCC(C)CC CNP0502896.0 [0,1,0,0,0,0|0,0,2]=3 25 B11R0.109 CCC(C)CCOC(=O)C(C)C CNP0592735.0 [0,1,0,0,0,0|0,0,0]=1 26 B11R0.145 C/C=C(\C)/C(=O)CCC[C@H](C)O CNP0275570.1 [0,1,0,0,0,0|2,0,1]=4 27 B11R0.145 C=C(C#N)C(=O)OCCC(C)C CNP0495507.0 [0,1,0,0,0,0|0,0,3]=4 28 B11R0.145 CC=C(C)C(=O)OCCC(C)C CNP0234140.0 [0,1,0,0,0,0|0,0,1]=2 29 B11R0.145 CC[C@@H](C)C(=O)OCCC(C)C CNP0330262.1 [0,1,0,0,0,0|0,0,0]=1 30 B11R0.150 CC(C)C(C)CCC(C)C(C)C CNP0535990.0 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.21 C=C1CCC(CC1O)C(C)C CNP0611280.0 [0,0,0,1,0,0|3,0,0]=4 32 B11R1.21 CC1=CCC(CC1O)C(C)C CNP0150657.0 [0,0,0,1,0,0|3,0,0]=4 33 B11R1.80 CC(=O)C[C@@H]1C[C@@H](C(=O)O1)C CNP0237623.3 [0,0,0,1,0,0|1,0,1]=3 34 B11R1.80 CC(=O)C[C@@H]1C[C@H](C(=O)O1)C CNP0237623.2 [0,0,0,1,0,0|1,0,1]=3 35 B11R1.80 CC(=O)C[C@H]1C[C@H](C(=O)O1)C CNP0237623.1 [0,0,0,1,0,0|1,0,1]=3 36 B11R1.80 CC(C)C[C@H]1C[C@@H](C(=O)O1)O CNP0356426.1 [0,0,0,1,0,0|1,0,0]=2 37 B11R1.80 CC1=NC(SC1C)CC(C)C CNP0202504.0 [0,0,0,1,0,0|3,0,0]=4 38 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,0,0,0,1,0|0,0,2]=3 39 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [0,0,0,0,1,0|0,0,2]=3 40 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,0,0,0,1,0|2,0,1]=4 41 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [0,0,0,0,1,0|0,0,0]=1 42 B9R0.7 CC(C)COC(=O)[C@@H](N)O CNP0184360.1 [0,0,0,0,1,0|2,0,0]=3 43 B11R0.6 C=C(C)CCOC(=O)C=C(C)C CNP0172125.0 [0,0,0,0,0,1|0,0,3]=4 44 B11R0.6 C=C(C)CCOC(=O)CC(C)C CNP0147789.0 [0,0,0,0,0,1|0,0,2]=3 45 B11R0.6 CC(=CC(=O)OCCC(C)C)C CNP0302991.0 [0,0,0,0,0,1|0,0,1]=2 46 B11R0.6 CC(=CCOC(=O)C=C(C)C)C CNP0350613.0 [0,0,0,0,0,1|0,0,3]=4 47 B11R0.6 CC(=CCOC(=O)CC(C)C)C CNP0115393.0 [0,0,0,0,0,1|0,0,2]=3 48 B11R0.6 CC(=CCSC(=O)CC(C)C)C CNP0242977.0 [0,0,0,0,0,1|0,1,2]=4 49 B11R0.6 CC(=O)CC(=O)OCCC(C)C CNP0002893.0 [0,0,0,0,0,1|1,0,1]=3 50 B11R0.6 CC(C)CCOC(=O)CC(C)C CNP0335578.0 [0,0,0,0,0,1|0,0,0]=1 51 B11R0.29 CC(C)CCCOC(=O)C(C)C CNP0167474.0 [0,0,0,0,0,1|0,0,0]=1 52 B11R0.29 CC(C)CCCOC(=O)C(Cl)Cl CNP0482972.0 [0,0,0,0,0,1|2,0,0]=3 53 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [2,0,0,0,0,0|0,0,0]=2 60 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [2,0,0,0,0,0|1,0,1]=4 62 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.7 CCCCCCC(C)C CNP0161146.0 [2,0,0,0,0,0|1,0,1]=4 65 B8R0.7 CCCCOCC(C)O CNP0506345.0 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.7 CCCCSSC(C)C CNP0003138.0 [2,0,0,0,0,0|1,1,0]=4 67 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [2,0,0,0,0,0|0,0,2]=4 69 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [2,0,0,0,0,0|1,0,1]=4 70 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [2,0,0,0,0,0|1,0,0]=3 71 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [2,0,0,0,0,0|1,0,1]=4 72 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [2,0,0,0,0,0|1,0,0]=3 73 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [2,0,0,0,0,0|0,0,2]=4 74 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [2,0,0,0,0,0|0,0,0]=2 75 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [2,0,0,0,0,0|1,0,0]=3 76 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [2,0,0,0,0,0|0,1,0]=3 77 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [2,0,0,0,0,0|2,0,0]=4 78 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [2,0,0,0,0,0|2,0,0]=4 79 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [2,0,0,0,0,0|2,0,0]=4 80 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [2,0,0,0,0,0|0,0,2]=4 81 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [2,0,0,0,0,0|1,0,1]=4 82 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [2,0,0,0,0,0|0,0,0]=2 83 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [2,0,0,0,0,0|1,0,0]=3 84 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [2,0,0,0,0,0|1,0,0]=3 85 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [2,0,0,0,0,0|0,0,2]=4 86 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [2,0,0,0,0,0|1,0,1]=4 87 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [2,0,0,0,0,0|0,0,0]=2 88 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [2,0,0,0,0,0|2,0,0]=4 89 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [1,1,0,0,0,0|0,0,2]=4 90 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [1,1,0,0,0,0|2,0,0]=4 91 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [1,1,0,0,0,0|0,0,0]=2 92 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [1,1,0,0,0,0|1,0,0]=3 93 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [1,1,0,0,0,0|2,0,0]=4 94 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [1,1,0,0,0,0|1,0,0]=3 95 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [1,1,0,0,0,0|1,0,0]=3 96 B10R0.60 C=C(CC)CCCC(C)(C)O CNP0076164.0 [1,1,0,0,0,0|2,0,0]=4 97 B10R0.60 CCC(=O)OCC[N+](C)(C)C CNP0582310.0 [1,1,0,0,0,0|1,0,0]=3 98 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [1,1,0,0,0,0|0,0,0]=2 99 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [1,1,0,0,0,0|1,0,1]=4 100 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [1,1,0,0,0,0|0,0,1]=3 101 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [1,1,0,0,0,0|0,0,0]=2 102 B10R0.15 CC(C)CCC#CC(C)(C)C CNP0529511.0 [1,1,0,0,0,0|1,0,1]=4 103 B10R0.55 CC(C)CCCCC(C)CO CNP0444832.0 [1,1,0,0,0,0|1,0,1]=4 104 B10R0.96 CC(C)C=CC(=O)CC(C)C CNP0168890.0 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [1,1,0,0,0,0|0,0,2]=4 106 B10R0.84 CC(C)CC=C(C=O)C(C)C CNP0259933.0 [0,1,0,0,1,0|0,0,1]=3 107 B10R0.84 CC(C)CCC(CO)C(C)C CNP0076818.0 [0,1,0,0,1,0|0,0,2]=4 108 B10R0.93 CC(C)C(=O)OC(=O)C(C)C CNP0300991.0 [0,1,0,0,1,0|0,0,1]=3 109 B10R0.93 CC(O)C(C)OC(=O)[C@H](C)O CNP0202173.1 [0,1,0,0,1,0|2,0,0]=4 110 B12R0.66 CC(=CC(=O)OCC[N+](C)(C)C)C CNP0036955.0 [0,1,0,0,0,1|1,0,1]=4 111 B12R0.241 CC[C@H](C)CCOC(=O)CC(C)C CNP0310686.1 [0,1,0,0,0,1|0,0,0]=2 112 B12R0.686 C=C(C(=O)OCCC(C)C)[C@H](C)O CNP0309731.1 [0,1,0,0,0,1|1,0,0]=3 113 B12R0.687 CC(C)CC(=O)NC[C@@H](O)C(C)C CNP0293063.1 [0,1,0,0,0,1|1,0,0]=3 114 B12R0.86 CCC(C)C(=O)OCCCC(C)C CNP0220928.0 [0,1,0,0,0,1|0,0,0]=2 115 B12R0.186 CCC(C)CCCOC(=O)C(C)C CNP0586930.0 [0,1,0,0,0,1|0,0,0]=2 116 B12R0.156 CC=C(C)C(=O)OCCC(C)CC CNP0122564.0 [0,2,0,0,0,0|0,0,1]=3 117 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [1,0,0,1,0,0|1,0,0]=3 119 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [1,0,0,1,0,0|1,0,1]=4 120 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [1,0,0,1,0,0|1,0,1]=4 121 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [1,0,0,1,0,0|2,0,0]=4 122 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [1,0,0,1,0,0|2,0,0]=4 123 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [1,0,0,1,0,0|2,0,0]=4 124 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [1,0,0,1,0,0|2,0,0]=4 125 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [1,0,0,1,0,0|1,0,0]=3 126 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@H]1C CNP0176461.1 [1,0,0,1,0,0|1,0,1]=4 127 B10R1.147 C[C@@H]1CC(CCC1=O)(C)C CNP0194995.1 [0,0,0,1,1,0|0,0,0]=2 128 B10R1.471 CC1(OOC(=O)C1(C)C)C CNP0034186.0 [0,0,0,1,1,0|1,0,0]=3 129 B12R1.101 C[C@@H](O)C[C@@H]1C[C@@H](CC(=O)O1)O CNP0233374.2 [0,0,0,1,0,1|2,0,0]=4 130 B12R1.101 C[C@H](O)C[C@@H]1C[C@@H](CC(=O)O1)O CNP0233374.1 [0,0,0,1,0,1|2,0,0]=4 131 B12R1.101 C[C@H](O)C[C@H]1C[C@@H](CC(=O)O1)O CNP0233374.3 [0,0,0,1,0,1|2,0,0]=4 132 B12R1.861 CC(C)CCC1=C[C@H](OC1=O)C CNP0324471.1 [0,0,0,1,0,1|1,0,1]=4 133 B12R2.2863 C[C@@H]1C[C@H]2C[C@@H](C1=O)C2(C)C CNP0098784.1 [0,0,0,2,0,0|1,0,0]=3 134 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,0,0,0,1,0|0,0,2]=4 135 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,0,0,0,1,0|1,0,1]=4 136 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,0,0,0,1,0|0,0,0]=2 137 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,0,0,0,1,0|1,0,0]=3 138 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,0,0,0,1,0|0,0,0]=2 139 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,0,0,0,1,0|1,0,1]=4 140 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [1,0,0,0,1,0|0,0,2]=4 141 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,0,0,0,1,0|1,0,0]=3 142 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,0,0,0,1,0|1,0,0]=3 143 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,0,0,0,2,0|1,0,1]=4 144 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,0,0,0,2,0|1,0,1]=4 145 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,0,0,0,2,0|1,0,0]=3 146 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,0,0,0,2,0|1,0,1]=4 147 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,0,0,0,2,0|0,0,0]=2 148 B8R0.23 CN(C)CC(=O)N(C)C CNP0095024.0 [0,0,0,0,2,0|2,0,0]=4 149 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [1,0,0,0,0,1|1,0,1]=4 150 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [1,0,0,0,0,1|1,0,0]=3 151 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [1,0,0,0,0,1|1,0,1]=4 152 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [1,0,0,0,0,1|0,0,0]=2 153 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [1,0,0,0,0,1|1,0,0]=3 154 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [1,0,0,0,0,1|1,0,0]=3 155 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [1,0,0,0,0,1|2,0,0]=4 156 B12R0.44 CC(C)CCCC(=O)CCC(C)C CNP0268061.0 [0,0,0,0,0,2|1,0,0]=3 157 B12R0.44 CC(C)CCNC(=O)CCC(C)C CNP0435204.0 [0,0,0,0,0,2|1,0,0]=3 158 B12R0.44 CC(C)CCOC(=O)CCC(C)C CNP0314746.0 [0,0,0,0,0,2|0,0,0]=2 159 B12R0.270 CC(C)CCCOC(=O)CC(C)C CNP0076997.0 [0,0,0,0,0,2|0,0,0]=2 160 B12R0.42 CC(O)CCCCOC(=O)C(C)O CNP0133875.0 [0,0,0,0,0,2|2,0,0]=4 161 B12R0.42 C[C@H](O)CCCCOC(=O)[C@H](C)O CNP0133875.1 [0,0,0,0,0,2|2,0,0]=4