0 B11R0.164 CCCCC(CC)CCC(=O)O CNP0002943.0 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.164 CCCC[C@H](CC)COC(=O)C CNP0084871.1 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.27 CCCC(CC)CCC(C)C CNP0482853.0 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [1,0,0,0,0,0|0,0,0]=1 6 B12R0.12 CCCC[C@@H](CCC)CCC(C)C CNP0102907.1 [0,1,0,0,0,0|2,0,1]=4 7 B12R0.12 CCCC[C@H](CCC)CCC(C)C CNP0102907.2 [0,1,0,0,0,0|2,0,1]=4 8 B12R0.216 C=CC(=O)OCC(CC)CCCC CNP0565220.0 [0,1,0,0,0,0|2,0,0]=3 9 B12R0.245 CCC(CCNC)CN(C)C(=O)C CNP0385609.0 [0,1,0,0,0,0|3,0,0]=4 10 B12R0.608 CCCC[C@@H](CC)COS(=O)(=O)O CNP0020160.1 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.75 NC[C@@H]1CCCC[C@@H]1CC(=O)O CNP0052408.1 [0,0,0,1,0,0|1,0,0]=2 12 B12R1.75 NC[C@@H]1CCCC[C@H]1CC(=O)O CNP0052408.4 [0,0,0,1,0,0|1,0,0]=2 13 B12R1.75 NC[C@H]1CCCC[C@@H]1CC(=O)O CNP0052408.2 [0,0,0,1,0,0|1,0,0]=2 14 B12R1.75 NC[C@H]1CCCC[C@H]1CC(=O)O CNP0052408.3 [0,0,0,1,0,0|1,0,0]=2 15 B12R1.125 NC(=O)CC[C@@H]1CCCCC1=O CNP0046552.1 [0,0,0,1,0,0|2,0,1]=4 16 B12R1.125 NC(=O)CC[C@H]1CCCCC1=O CNP0046552.2 [0,0,0,1,0,0|2,0,1]=4 17 B12R1.125 O=C(O)CC[C@@H]1CCCCC1=O CNP0451054.1 [0,0,0,1,0,0|1,0,1]=3 18 B12R1.125 O=C(O)CC[C@H]1CCCCC1=O CNP0451054.2 [0,0,0,1,0,0|1,0,1]=3 19 B12R1.337 CCCC[C@@H]1N[C@@H](CS1)C(=O)O CNP0118000.1 [0,0,0,1,0,0|2,0,0]=3 20 B12R1.1794 CCCC[C@]1(CCC(=O)O1)CC CNP0159155.1 [0,0,0,1,0,0|0,0,0]=1 21 B10R0.87 CC#CCC(CC(=O)O)OC CNP0344902.0 [0,0,0,0,1,0|1,0,2]=4 22 B10R0.87 CCCCC(CC)CN(C)C CNP0554123.0 [0,0,0,0,1,0|3,0,0]=4 23 B12R0.254 CCCC[C@@H](CC)CCCC(C)C CNP0193801.1 [0,0,0,0,0,1|2,0,1]=4 24 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [2,0,0,0,0,0|0,0,1]=3 25 B9R0.40 CCCC[C@H](/C=N/O)CC CNP0161686.1 [2,0,0,0,0,0|1,0,1]=4 26 B9R0.43 CCC(CC)COC(=O)C CNP0003350.0 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [2,0,0,0,0,0|1,0,0]=3 28 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [2,0,0,0,0,0|1,0,0]=3 29 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [2,0,0,0,0,0|1,0,0]=3 31 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [2,0,0,0,0,0|0,0,2]=4 34 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [2,0,0,0,0,0|0,0,2]=4 35 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [2,0,0,0,0,0|0,0,2]=4 36 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [2,0,0,0,0,0|0,0,2]=4 37 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [2,0,0,0,0,0|1,0,0]=3 38 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [2,0,0,0,0,0|1,0,0]=3 40 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [2,0,0,0,0,0|0,0,0]=2 41 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [2,0,0,0,0,0|0,0,1]=3 42 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [2,0,0,0,0,0|0,0,1]=3 43 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [2,0,0,0,0,0|0,0,1]=3 44 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [2,0,0,0,0,0|0,0,1]=3 45 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [2,0,0,0,0,0|0,0,1]=3 46 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [2,0,0,0,0,0|0,0,1]=3 47 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [2,0,0,0,0,0|1,0,0]=3 53 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [2,0,0,0,0,0|1,0,0]=3 55 B11R0.152 CCCCCC(CC)CCCC CNP0573841.0 [1,1,0,0,0,0|1,0,1]=4 56 B11R0.118 CC[C@H](CCC(=O)N)[C@H](C)CC CNP0081112.1 [1,1,0,0,0,0|1,0,0]=3 57 B11R0.146 CCC[C@@H](CCC(=O)O)C(=O)C CNP0467339.2 [1,1,0,0,0,0|0,0,1]=3 58 B11R0.146 CCC[C@H](CCC(=O)O)C(=O)C CNP0467339.1 [1,1,0,0,0,0|0,0,1]=3 59 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [1,1,0,0,0,0|1,0,1]=4 60 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [1,1,0,0,0,0|0,0,0]=2 61 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [1,1,0,0,0,0|1,0,1]=4 62 B11R0.46 CNCCC[C@@H](C)CNC(=O)C CNP0195159.1 [1,1,0,0,0,0|2,0,0]=4 63 B11R0.59 CCCC(C)C(C)CCC(=O)O CNP0340761.0 [1,1,0,0,0,0|0,0,0]=2 64 B11R0.68 CCCC[C@H](O)[C@@H](C)CC(=O)O CNP0548280.1 [1,1,0,0,0,0|1,0,0]=3 65 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [1,1,0,0,0,0|1,0,1]=4 66 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [1,1,0,0,0,0|0,0,0]=2 67 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [1,1,0,0,0,0|2,0,0]=4 68 B11R0.85 CC(C)CC[C@@H](N)CCC(=O)O CNP0367952.2 [1,1,0,0,0,0|1,0,0]=3 69 B11R0.85 CC(C)CC[C@H](N)CCC(=O)O CNP0367952.1 [1,1,0,0,0,0|1,0,0]=3 70 B11R0.85 CC(CCC(=O)O)CCC(=O)O CNP0505818.0 [1,1,0,0,0,0|1,0,1]=4 71 B11R0.85 CC(O)/C=C\[C@@H](C)CCC(=O)O CNP0072555.1 [1,1,0,0,0,0|0,0,2]=4 72 B11R0.85 C[C@@H](O)CC[C@H](O)CCC(=O)O CNP0319928.1 [1,1,0,0,0,0|1,0,0]=3 73 B11R0.93 CC[C@H](C)C[C@H](C)CCC(=O)O CNP0332942.1 [1,1,0,0,0,0|0,0,0]=2 74 B11R0.163 CCCC[C@H](C)/C=C(\C)/C(=O)O CNP0121150.1 [1,1,0,0,0,0|0,0,2]=4 75 B11R0.163 CCCC[S+]([O-])C[C@@H](N)C(=O)O CNP0549891.2 [1,1,0,0,0,0|2,0,0]=4 76 B11R0.163 CCCC[S+]([O-])C[C@H](N)C(=O)O CNP0549891.1 [1,1,0,0,0,0|2,0,0]=4 77 B11R0.163 CCCC[S@+]([O-])C[C@H](N)C(=O)O CNP0549891.4 [1,1,0,0,0,0|2,0,0]=4 78 B11R0.163 CCCC[S@@+]([O-])C[C@H](N)C(=O)O CNP0549891.3 [1,1,0,0,0,0|2,0,0]=4 79 B11R0.163 CCCC[S@H+]([O-])C[C@H](N)C(=O)O CNP0604446.1 [1,1,0,0,0,0|2,0,0]=4 80 B11R0.219 CCCCS(=O)(=O)CCC(=O)O CNP0482143.0 [1,1,0,0,0,0|2,0,0]=4 81 B11R0.47 CCCC[C@H](CCC)OC(=O)C CNP0156291.1 [0,1,0,0,1,0|2,0,0]=4 82 B11R0.77 C=CC(CCCCC)CC(=O)O CNP0535039.0 [0,1,0,0,1,0|0,0,2]=4 83 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,1,0,0,1,0|2,0,0]=4 84 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,1,0,0,1,0|2,0,0]=4 85 B13R0.53 CC(=O)CCC(CCC(C)O)C(C)C CNP0157188.0 [0,2,0,0,0,0|1,0,0]=3 86 B13R0.53 CC(=O)CC[C@@H](CC[C@H](C)O)C(C)C CNP0157188.1 [0,2,0,0,0,0|1,0,0]=3 87 B13R0.53 CC(=O)OCC(CCC(C)C)C(C)C CNP0612217.0 [0,2,0,0,0,0|2,0,0]=4 88 B13R0.53 CC(C)C(CC[C@H](C)O)CC[C@H](C)O CNP0405759.1 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [1,0,0,1,0,0|0,0,0]=2 90 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [1,0,0,1,0,0|2,0,0]=4 91 B11R1.41 CCCC1CCCCC1CC CNP0083068.0 [1,0,0,1,0,0|1,0,1]=4 92 B11R1.50 CO[C@@H]1C[C@H](N(C1)C)C(=O)O CNP0104577.2 [1,0,0,1,0,0|2,0,0]=4 93 B11R1.50 CO[C@H]1C[C@@H](N(C1)C)C(=O)O CNP0104577.1 [1,0,0,1,0,0|2,0,0]=4 94 B11R1.81 CCCC1=C(OC(=O)CC1)C CNP0474826.0 [1,0,0,1,0,0|0,0,2]=4 95 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [1,0,0,1,0,0|0,0,0]=2 96 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [1,0,0,1,0,0|2,0,0]=4 97 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [1,0,0,1,0,0|2,0,0]=4 98 B11R1.266 CO[C@@H]1CCN[C@H](C1)C(=O)O CNP0128045.2 [1,0,0,1,0,0|2,0,0]=4 99 B11R1.266 CO[C@H]1CCN[C@@H](C1)C(=O)O CNP0128045.1 [1,0,0,1,0,0|2,0,0]=4 100 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [1,0,0,1,0,0|2,0,0]=4 101 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [1,0,0,1,0,0|2,0,0]=4 102 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [1,0,0,1,0,0|0,0,2]=4 103 B11R1.167 CN1CC[C@@H](C[C@H]1C(=O)O)O CNP0239748.2 [1,0,0,1,0,0|2,0,0]=4 104 B11R1.167 CN1CC[C@H](C[C@H]1C(=O)O)O CNP0239748.1 [1,0,0,1,0,0|2,0,0]=4 105 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,0,0,1,1,0|0,0,0]=2 106 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,0,0,1,1,0|1,0,0]=3 107 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,0,0,1,1,0|2,0,0]=4 108 B11R1.204 O=C(O)[C@@H]1CCN1CCCO CNP0196381.1 [0,0,0,1,1,0|2,0,0]=4 109 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,0,0,1,1,0|2,0,0]=4 110 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,0,0,1,1,0|2,0,0]=4 111 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,0,0,1,1,0|2,0,0]=4 112 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,0,0,1,1,0|2,0,0]=4 113 B11R1.313 C[C@H]1[C@@H](CC[C@@H]1C)CC(=O)O CNP0391795.1 [0,0,0,1,1,0|0,0,0]=2 114 B13R1.280 O=C(O)CCN1CCCCCC1=O CNP0398881.0 [0,1,0,1,0,0|1,0,1]=4 115 B13R1.562 CCCC[C@@H]1C[C@@H](OC1=O)C(=O)O CNP0274181.2 [0,1,0,1,0,0|1,0,1]=4 116 B13R1.562 CCCC[C@@H]1C[C@H](OC1=O)C(=O)O CNP0274181.1 [0,1,0,1,0,0|1,0,1]=4 117 B13R1.562 CCCC[C@H]1C[C@@H](OC1=O)C(=O)O CNP0274181.3 [0,1,0,1,0,0|1,0,1]=4 118 B13R1.562 CCCC[C@H]1C[C@H](OC1=O)C(=O)O CNP0274181.4 [0,1,0,1,0,0|1,0,1]=4 119 B13R1.3575 C[C@@]1(CCOC[C@@H]1NCC(=O)O)O CNP0257002.2 [0,1,0,1,0,0|2,0,0]=4 120 B13R1.3575 C[C@@]1(CCOC[C@H]1NCC(=O)O)O CNP0257002.1 [0,1,0,1,0,0|2,0,0]=4 121 B13R1.3575 C[C@]1(CCOC[C@@H]1NCC(=O)O)O CNP0257002.4 [0,1,0,1,0,0|2,0,0]=4 122 B13R1.3575 C[C@]1(CCOC[C@H]1NCC(=O)O)O CNP0257002.3 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.328 C[C@@H]1CC(=O)C[C@@H]2N1CCCC2 CNP0210216.3 [0,0,0,2,0,0|2,0,0]=4 124 B13R2.328 C[C@@H]1CC(=O)C[C@H]2N1CCCC2 CNP0210216.4 [0,0,0,2,0,0|2,0,0]=4 125 B13R2.328 C[C@H]1CC(=O)C[C@@H]2N1CCCC2 CNP0210216.1 [0,0,0,2,0,0|2,0,0]=4 126 B13R2.328 C[C@H]1CC(=O)C[C@H]2N1CCCC2 CNP0210216.2 [0,0,0,2,0,0|2,0,0]=4 127 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 CNP0562862.1 [0,0,0,2,0,0|1,0,0]=3 128 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [1,0,0,0,1,0|2,0,0]=4 129 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [1,0,0,0,1,0|0,0,2]=4 130 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [1,0,0,0,1,0|1,0,0]=3 131 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,0,0,0,1,0|2,0,0]=4 132 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [1,0,0,0,1,0|1,0,0]=3 133 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [1,0,0,0,1,0|2,0,0]=4 134 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [1,0,0,0,1,0|2,0,0]=4 135 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [1,0,0,0,1,0|2,0,0]=4 136 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [0,0,0,0,2,0|2,0,0]=4 137 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,0,0,0,2,0|2,0,0]=4 138 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,0,0,0,2,0|1,0,0]=3 139 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,0,0,0,2,0|0,0,0]=2 140 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,0,0,0,2,0|1,0,0]=3 141 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,0,0,0,2,0|0,0,0]=2 142 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,0,0,0,2,0|1,0,0]=3 143 B9R0.13 CN[C@@H](CCCN)C(=O)O CNP0395461.1 [0,0,0,0,2,0|2,0,0]=4 144 B11R0.45 CCCC(CCOC(=O)C)SC CNP0003227.0 [1,0,0,0,0,1|2,0,0]=4 145 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [1,0,0,0,0,1|1,0,0]=3 146 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [1,0,0,0,0,1|1,0,0]=3