0 B17R0.14245 C=C(C)C(=O)OCCCCCCCCCCCC CNP0079997.0 [0,0,0,0,0,0|1,0,1]=2 1 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C CNP0022058.0 [0,0,0,0,0,0|1,0,0]=1 2 B16R0.221 C=CC(=O)OCCCCCCCCCCCC CNP0018126.0 [1,0,0,0,0,0|0,0,2]=3 3 B16R0.221 CCC=CCCCCCCCCOC(=O)CC CNP0126558.0 [1,0,0,0,0,0|0,0,2]=3 4 B16R0.221 CCCCCCCCCCCC=CC(=O)OC CNP0295487.0 [1,0,0,0,0,0|2,0,1]=4 5 B16R0.221 CCCCCCCCCCCCCC(=O)CC CNP0113176.0 [1,0,0,0,0,0|1,0,0]=2 6 B16R0.221 CCCCCCCCCCCCCC(=O)NN CNP0308205.0 [1,0,0,0,0,0|3,0,0]=4 7 B16R0.221 CCCCCCCCCCCCCC(=O)OC CNP0250171.0 [1,0,0,0,0,0|2,0,0]=3 8 B16R0.221 CCCCCCCCCCCCC[C@H](C)CC CNP0266860.1 [1,0,0,0,0,0|2,0,1]=4 9 B16R0.221 CCCCCCCCCCCCC[C@H](C)CO CNP0371129.1 [1,0,0,0,0,0|2,0,1]=4 10 B16R0.221 CCCCCCCCCCCCOC(=O)CC CNP0245605.0 [1,0,0,0,0,0|0,0,0]=1 11 B16R0.224 CCCCCCCCCCCCC(=O)C(=O)O CNP0589314.0 [1,0,0,0,0,0|1,0,1]=3 12 B16R0.274 CCCCCCCCCCCCC=CC(=O)O CNP0134714.0 [1,0,0,0,0,0|2,0,1]=4 13 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [1,0,0,0,0,0|2,0,1]=4 14 B16R0.274 CCCCCCCCCCCCCCC(C)C CNP0256136.0 [1,0,0,0,0,0|2,0,1]=4 15 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [1,0,0,0,0,0|1,0,1]=3 16 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [1,0,0,0,0,0|1,0,1]=3 17 B16R0.274 CCCCCCCCCCCCNCC(C)C CNP0078582.0 [1,0,0,0,0,0|2,0,1]=4 18 B18R0.174 CCCCCCCCCCCCCCC(=O)C(=O)O CNP0287283.0 [0,1,0,0,0,0|2,0,1]=4 19 B18R1.1843 C[C@@H]1CCCCCCCCCCCCCOC1=O CNP0362475.1 [0,0,0,1,0,0|1,0,0]=2 20 B18R1.1843 C[C@H]1CCCCCCCCCCCCCOC1=O CNP0362475.2 [0,0,0,1,0,0|1,0,0]=2 21 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)C CNP0171384.0 [0,0,0,0,0,1|1,0,2]=4 22 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)O CNP0040092.0 [0,0,0,0,0,1|2,0,1]=4 23 B18R0.220 CCCCCCCCCCCCCC(=O)NC(C)C CNP0317467.0 [0,0,0,0,0,1|2,0,0]=3 24 B18R0.220 CCCCCCCCCCCCCC(=O)OC(C)C CNP0084013.0 [0,0,0,0,0,1|2,0,0]=3 25 B15R0.70 CC=CCCCCCCCCCCCCC CNP0136962.0 [2,0,0,0,0,0|1,0,1]=4 26 B15R0.70 CCC=CCCCCCCCCCCCC CNP0086114.0 [2,0,0,0,0,0|1,0,0]=3 27 B15R0.70 CCCCCCCCCCCCC#CCO CNP0086208.0 [2,0,0,0,0,0|1,0,1]=4 28 B15R0.70 CCCCCCCCCCCCC=COC CNP0603784.0 [2,0,0,0,0,0|2,0,0]=4 29 B15R0.70 CCCCCCCCCCCCCCCC CNP0250856.0 [2,0,0,0,0,0|1,0,1]=4 30 B15R0.70 CCCCCCCCCCCCCCCO CNP0150941.0 [2,0,0,0,0,0|1,0,1]=4 31 B15R0.81 CCCCCCCCCCCCC(=O)OC CNP0210866.0 [2,0,0,0,0,0|1,0,0]=3 32 B15R0.81 CCCCCCCCCCCC[C@@H](C)CC CNP0322318.2 [2,0,0,0,0,0|1,0,1]=4 33 B15R0.81 CCCCCCCCCCCC[C@H](C)CC CNP0322318.1 [2,0,0,0,0,0|1,0,1]=4 34 B15R0.81 CCCCCCCCCCCC[C@H](O)CO CNP0295554.1 [2,0,0,0,0,0|0,0,2]=4 35 B15R0.81 CCCCCCCCCCCOC(=O)CC CNP0236979.0 [2,0,0,0,0,0|0,0,0]=2 36 B15R0.81 COC(=O)CCCCCCCCCCCO CNP0267260.0 [2,0,0,0,0,0|2,0,0]=4 37 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [2,0,0,0,0,0|2,0,0]=4 38 B15R0.164 C=CCCCCCCCCCCOC(=O)C CNP0406625.0 [2,0,0,0,0,0|0,0,2]=4 39 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [2,0,0,0,0,0|1,0,0]=3 40 B15R0.164 CC=CCCCCCCCCCOC(=O)C CNP0230290.0 [2,0,0,0,0,0|0,0,2]=4 41 B15R0.164 CCC=CCCCCCCCCOC(=O)C CNP0132176.0 [2,0,0,0,0,0|0,0,2]=4 42 B15R0.164 CCCC=CCCCCCCCOC(=O)C CNP0304445.0 [2,0,0,0,0,0|0,0,2]=4 43 B15R0.164 CCCCC=CCCCCCCOC(=O)C CNP0179053.0 [2,0,0,0,0,0|0,0,2]=4 44 B15R0.164 CCCCCCC=CCCCCOC(=O)C CNP0212830.0 [2,0,0,0,0,0|0,0,2]=4 45 B15R0.164 CCCCCCCC=CCCCOC(=O)C CNP0503025.0 [2,0,0,0,0,0|0,0,2]=4 46 B15R0.164 CCCCCCCCC=CCCOC(=O)C CNP0610375.0 [2,0,0,0,0,0|0,0,2]=4 47 B15R0.164 CCCCCCCCCCC=COC(=O)C CNP0375176.0 [2,0,0,0,0,0|0,0,2]=4 48 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [2,0,0,0,0,0|1,0,1]=4 49 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [2,0,0,0,0,0|1,0,0]=3 50 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [2,0,0,0,0,0|2,0,0]=4 51 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [2,0,0,0,0,0|2,0,0]=4 52 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [2,0,0,0,0,0|1,0,0]=3 53 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [2,0,0,0,0,0|1,0,1]=4 54 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [2,0,0,0,0,0|1,0,1]=4 55 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [2,0,0,0,0,0|1,0,1]=4 56 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [2,0,0,0,0,0|1,0,1]=4 57 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [2,0,0,0,0,0|1,0,1]=4 58 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [2,0,0,0,0,0|1,0,1]=4 59 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [2,0,0,0,0,0|1,0,1]=4 60 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [2,0,0,0,0,0|1,0,1]=4 61 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [2,0,0,0,0,0|0,0,1]=3 62 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [2,0,0,0,0,0|0,0,1]=3 63 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [2,0,0,0,0,0|0,0,0]=2 64 B15R0.164 CCCCCCCCCCCCOC(C)C CNP0155066.0 [2,0,0,0,0,0|1,0,0]=3 65 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [2,0,0,0,0,0|2,0,0]=4 66 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [2,0,0,0,0,0|2,0,0]=4 67 B15R0.84 C=C(C)C(=O)OCCCCCCCCCC CNP0077255.0 [2,0,0,0,0,0|1,0,1]=4 68 B15R0.84 CCCCCCCCCCOC(=O)C(C)C CNP0611686.0 [2,0,0,0,0,0|1,0,0]=3 69 B15R0.84 CCCCCCCCCCOC(=O)C(Cl)Cl CNP0086443.0 [2,0,0,0,0,0|2,0,0]=4 70 B17R0.133 CCCCCC[C@H](O)CCCCCCC(=O)OC CNP0231304.1 [1,1,0,0,0,0|2,0,0]=4 71 B17R0.195 CCCCCCCCCCCCCCC(=O)OC CNP0149579.0 [1,1,0,0,0,0|2,0,0]=4 72 B17R0.195 CCCCCCCCCCCCOC[C@H](O)CO CNP0239233.1 [1,1,0,0,0,0|0,0,2]=4 73 B17R0.195 COC(=O)CCCCCCCCCCCCCO CNP0332818.0 [1,1,0,0,0,0|2,0,0]=4 74 B17R0.250 CCCCCCCCCCCCCC(=O)CCO CNP0135132.0 [1,1,0,0,0,0|1,0,0]=3 75 B17R0.250 CCCCCCCCCCCCCC(=O)OCC CNP0218436.0 [1,1,0,0,0,0|1,0,0]=3 76 B17R0.250 CCCCCCCCCCCCOC(=O)CCC CNP0291364.0 [1,1,0,0,0,0|0,0,0]=2 77 B17R0.250 CCCCCCCCCCCCOC(=O)CCS CNP0580650.0 [1,1,0,0,0,0|0,0,0]=2 78 B17R0.3062 CCCCCC(C)CCCCCCCC(=O)OC CNP0533502.0 [1,1,0,0,0,0|2,0,0]=4 79 B17R0.3062 CCCCC[C@H](O)CCCCCCCC(=O)OC CNP0155155.1 [1,1,0,0,0,0|2,0,0]=4 80 B17R0.3112 CCCCCCCCCCCC[C@@H](C)C(=O)OC CNP0327631.1 [1,1,0,0,0,0|2,0,0]=4 81 B17R0.3167 CCC[C@H](O)CCCCCCCCCC(=O)OC CNP0148255.1 [1,1,0,0,0,0|2,0,0]=4 82 B17R0.5801 CCCC[C@H](O)CCCCCCCCC(=O)OC CNP0254834.1 [1,1,0,0,0,0|2,0,0]=4 83 B17R0.11645 CC[C@@H](C)CCCCCCCCCCC(=O)OC CNP0259720.2 [1,1,0,0,0,0|2,0,0]=4 84 B17R0.11645 CC[C@H](C)CCCCCCCCCCC(=O)OC CNP0259720.1 [1,1,0,0,0,0|2,0,0]=4 85 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)OC CNP0497676.0 [1,1,0,0,0,0|2,0,0]=4 86 B17R0.13601 CCCCCCCCCCC[C@H](C)CC(=O)OC CNP0138746.1 [1,1,0,0,0,0|2,0,0]=4 87 B17R0.14363 COC(=O)CCCCCCCCCCCC(C)C CNP0314872.0 [1,1,0,0,0,0|2,0,0]=4 88 B17R0.14363 COC(=O)CCCCCCCCCCCC(C)O CNP0113704.0 [1,1,0,0,0,0|2,0,0]=4 89 B17R0.103 CCCCCCCC[C@@H](C)CCC[C@@H](C)[C@@H](C)O CNP0171191.1 [1,1,0,0,0,0|1,0,1]=4 90 B17R0.103 CCCCCCCC[C@H](C)CCC[C@@H](C)[C@@H](C)O CNP0171191.3 [1,1,0,0,0,0|1,0,1]=4 91 B17R0.103 CCCCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O CNP0171191.2 [1,1,0,0,0,0|1,0,1]=4 92 B17R0.43 CCCCCCCCCCCCCCCC(C)O CNP0605434.0 [1,1,0,0,0,0|1,0,1]=4 93 B19R0.35 CCCCCCCCCCCCCOS(=O)OC(C)C CNP0492449.0 [0,1,0,0,0,1|2,0,0]=4 94 B19R0.3108 CCCCCCCCCCCCOC(=O)CS(=O)(=O)O CNP0581251.0 [0,1,0,0,0,1|2,0,0]=4 95 B19R0.26296 CC[C@H](C)CCCCCCCCCCC(=O)OC(C)C CNP0434209.1 [0,1,0,0,0,1|2,0,0]=4 96 B17R1.444 O=C1CCCCCCCCCCCCCC1O CNP0524324.0 [1,0,0,1,0,0|1,0,0]=3 97 B17R1.5249 CCCCCCCCCCCCC1CCC1=O CNP0378227.0 [1,0,0,1,0,0|1,0,0]=3 98 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 CNP0332126.0 [1,0,0,1,0,0|0,0,0]=2 99 B17R1.11019 CCCCCCCCCCCOC(=O)C1CC1 CNP0503075.0 [1,0,0,1,0,0|1,0,0]=3 100 B17R1.11267 C[C@@H]1CCCCCCCCCCCC[C@@H](C1)O CNP0323065.3 [1,0,0,1,0,0|1,0,1]=4 101 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(C1)O CNP0323065.1 [1,0,0,1,0,0|1,0,1]=4 102 B17R1.11267 C[C@H]1CCCCCCCCCCCC[C@@H](C1)O CNP0323065.2 [1,0,0,1,0,0|1,0,1]=4 103 B17R1.29093 CCCCCCCCCCCCCC[C@@H]1CO1 CNP0238829.1 [1,0,0,1,0,0|1,0,1]=4 104 B19R1.8946 CCCCCCCCCCC[C@H]1C[C@@H](CC(=O)O1)O CNP0546812.1 [0,0,0,1,0,1|0,0,0]=2 105 B19R1.53162 CCCCCCCCCCCCN1C[C@@H](OC1=O)C CNP0036728.2 [0,0,0,1,0,1|2,0,0]=4 106 B19R1.53162 CCCCCCCCCCCCN1C[C@H](OC1=O)C CNP0036728.1 [0,0,0,1,0,1|2,0,0]=4