0 B18R0.220 CCCCCCC=CCCCCCC(=O)OC(C)C CNP0168030.0 [0,0,0,0,0,0|0,0,2]=2 1 B18R0.220 CCCCCCCCC=CCCCC(=O)OC(C)C CNP0250091.0 [0,0,0,0,0,0|0,0,2]=2 2 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)C CNP0171384.0 [0,0,0,0,0,0|2,0,1]=3 3 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)O CNP0040092.0 [0,0,0,0,0,0|3,0,1]=4 4 B18R0.220 CCCCCCCCCCCCCC(=O)NC(C)C CNP0317467.0 [0,0,0,0,0,0|1,0,0]=1 5 B18R0.220 CCCCCCCCCCCCCC(=O)OC(C)C CNP0084013.0 [0,0,0,0,0,0|0,0,0]=0 6 B17R0.43 CCCCCCCCCCCCC=COC(=O)C CNP0520630.0 [1,0,0,0,0,0|1,0,2]=4 7 B17R0.43 CCCCCCCCCCCCCC=CC(=O)C CNP0381442.0 [1,0,0,0,0,0|2,0,1]=4 8 B17R0.43 CCCCCCCCCCCCCCCC(C)C CNP0264011.0 [1,0,0,0,0,0|1,0,1]=3 9 B17R0.43 CCCCCCCCCCCCCCCC(C)O CNP0605434.0 [1,0,0,0,0,0|2,0,1]=4 10 B17R0.43 CCCCCCCCCCCCCCOC(=O)C CNP0192551.0 [1,0,0,0,0,0|1,0,2]=4 11 B17R0.250 CCCCC=CCCCCCCCC(=O)OCC CNP0272144.0 [1,0,0,0,0,0|0,0,2]=3 12 B17R0.250 CCCCCCCCC=CCCCC(=O)OCC CNP0208913.0 [1,0,0,0,0,0|0,0,2]=3 13 B17R0.250 CCCCCCCCCC=CCCC(=O)OCC CNP0143800.0 [1,0,0,0,0,0|0,0,2]=3 14 B17R0.250 CCCCCCCCCCCCCC(=O)CCO CNP0135132.0 [1,0,0,0,0,0|2,0,0]=3 15 B17R0.250 CCCCCCCCCCCCCC(=O)OCC CNP0218436.0 [1,0,0,0,0,0|0,0,0]=1 16 B17R0.250 CCCCCCCCCCCCC[C@@H](C)CCC CNP0352907.2 [1,0,0,0,0,0|2,0,1]=4 17 B17R0.250 CCCCCCCCCCCCC[C@H](C)CCC CNP0352907.1 [1,0,0,0,0,0|2,0,1]=4 18 B17R0.250 CCCCCCCCCCCCOC(=O)CCC CNP0291364.0 [1,0,0,0,0,0|2,0,0]=3 19 B17R0.250 CCCCCCCCCCCCOC(=O)CCS CNP0580650.0 [1,0,0,0,0,0|3,0,0]=4 20 B17R0.250 CCOC(=O)CCCCCCCCCCCC=O CNP0018675.0 [1,0,0,0,0,0|1,0,1]=3 21 B19R0.35 CCCCCCCCCCCCCOS(=O)OC(C)C CNP0492449.0 [0,1,0,0,0,0|1,0,0]=2 22 B19R0.3096 CCCCCC/C=C\CCCCCC(=O)O[C@H](C)CC CNP0314337.1 [0,1,0,0,0,0|0,0,2]=3 23 B19R0.3108 CCCCCCCCCCCCCC(=O)O[Si](C)(C)C CNP0116736.0 [0,1,0,0,0,0|0,1,0]=2 24 B19R0.26296 CC[C@H](C)CCCCCCCCCCC(=O)OC(C)C CNP0434209.1 [0,1,0,0,0,0|0,0,0]=1 25 B19R1.8946 CCCCCCCCCCC[C@H]1C[C@@H](CC(=O)O1)O CNP0546812.1 [0,0,0,1,0,0|3,0,0]=4 26 B19R1.53162 CCCCCCCCCCCCN1C[C@@H](OC1=O)C CNP0036728.2 [0,0,0,1,0,0|1,0,0]=2 27 B19R1.53162 CCCCCCCCCCCCN1C[C@@H](OC1=S)C CNP0316121.1 [0,0,0,1,0,0|1,1,0]=3 28 B19R1.53162 CCCCCCCCCCCCN1C[C@H](OC1=O)C CNP0036728.1 [0,0,0,1,0,0|1,0,0]=2 29 B19R1.53162 CCCCCCCCCCCCN1C[C@H](OC1=S)C CNP0316121.2 [0,0,0,1,0,0|1,1,0]=3 30 B17R0.14245 C=C(C)C(=O)OCCCCCCCCCCCC CNP0079997.0 [0,0,0,0,1,0|1,0,2]=4 31 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C CNP0022058.0 [0,0,0,0,1,0|1,0,0]=2 32 B19R0.157 CCCCCCC=CCCCCCC(=O)OCC(C)C CNP0306690.0 [0,0,0,0,0,1|0,0,2]=3 33 B16R0.274 CC(C)CCCCCCCCCCCCCO CNP0105559.0 [2,0,0,0,0,0|1,0,1]=4 34 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [2,0,0,0,0,0|0,0,1]=3 35 B16R0.274 CCCCCCCCCCCCCCC(C)C CNP0256136.0 [2,0,0,0,0,0|0,0,1]=3 36 B16R0.274 CCCCCCCCCCCCCCN(C)C CNP0466864.0 [2,0,0,0,0,0|1,0,1]=4 37 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [2,0,0,0,0,0|1,0,1]=4 38 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [2,0,0,0,0,0|1,0,1]=4 39 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [2,0,0,0,0,0|1,0,1]=4 40 B16R0.274 CCCCCCCCCCCCNCC(C)C CNP0078582.0 [2,0,0,0,0,0|1,0,1]=4 41 B16R0.303 CCC=CCCCCCCCCCCCCC CNP0237923.0 [2,0,0,0,0,0|1,0,0]=3 42 B16R0.303 CCCCCCCCCCCCCC=CCO CNP0586462.0 [2,0,0,0,0,0|2,0,0]=4 43 B16R0.303 CCCCCCCCCCCCCCCCC CNP0342809.0 [2,0,0,0,0,0|1,0,1]=4 44 B16R0.61 CCCCCCCCCCCCC(=O)CCC CNP0585123.0 [2,0,0,0,0,0|1,0,0]=3 45 B16R0.61 CCCCCCCCCCCCC(=O)OCC CNP0154229.0 [2,0,0,0,0,0|0,0,0]=2 46 B16R0.61 CCOC(=O)CCCCCCCCCCC=O CNP0602430.0 [2,0,0,0,0,0|1,0,1]=4 47 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C CNP0001279.0 [2,0,0,0,0,0|1,0,0]=3 48 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C CNP0353162.0 [2,0,0,0,0,0|0,0,0]=2 49 B16R0.302 CCCCCCCCCCOS(=O)OC(C)C CNP0512614.0 [2,0,0,0,0,0|2,0,0]=4 50 B16R0.221 CCCCC=CCCCCCCCC(=O)OC CNP0150160.0 [2,0,0,0,0,0|0,0,2]=4 51 B16R0.221 CCCCCCCCCC=CCCC(=O)OC CNP0195665.0 [2,0,0,0,0,0|0,0,2]=4 52 B16R0.221 CCCCCCCCCCCC=CC(=O)OC CNP0295487.0 [2,0,0,0,0,0|0,0,2]=4 53 B16R0.221 CCCCCCCCCCCCCC(=O)CC CNP0113176.0 [2,0,0,0,0,0|0,0,0]=2 54 B16R0.221 CCCCCCCCCCCCCC(=O)NN CNP0308205.0 [2,0,0,0,0,0|2,0,0]=4 55 B16R0.221 CCCCCCCCCCCCCC(=O)OC CNP0250171.0 [2,0,0,0,0,0|0,0,0]=2 56 B16R0.221 CCCCCCCCCCCCC[C@H](C)CC CNP0266860.1 [2,0,0,0,0,0|1,0,1]=4 57 B16R0.221 CCCCCCCCCCCCOC(=O)CC CNP0245605.0 [2,0,0,0,0,0|1,0,0]=3 58 B16R0.221 COC(=O)CCCCCCCCCCCC=O CNP0018335.0 [2,0,0,0,0,0|1,0,1]=4 59 B18R0.171 CCCCCCCCCCCCCCC[C@H](C)CC CNP0332851.1 [1,1,0,0,0,0|1,0,1]=4 60 B18R0.171 CCCCCCCCCCCCCCC[C@H](C)CO CNP0311251.1 [1,1,0,0,0,0|1,0,1]=4 61 B18R0.176 CC(C)CCCCCCCCCCCCCCCO CNP0206908.0 [1,1,0,0,0,0|1,0,1]=4 62 B18R0.176 CCCCCCCCCCCCCCCCC(C)C CNP0298379.0 [1,1,0,0,0,0|1,0,1]=4 63 B18R0.182 CCCCCCCCCCCCCCCC(C)(C)C CNP0225498.0 [1,1,0,0,0,0|1,0,1]=4 64 B18R0.233 CCCCCCCCCCCC(C)CCCC(C)C CNP0085706.0 [1,1,0,0,0,0|1,0,1]=4 65 B18R0.19183 CCCCCCCCCCCC[C@H](C)CCC(C)C CNP0125836.1 [1,1,0,0,0,0|1,0,1]=4 66 B18R0.45 CCCCCCCCCCCC(C)OC(=O)CCC CNP0556985.0 [1,1,0,0,0,0|2,0,0]=4 67 B18R0.73 CCOC(=O)CCCCCCCCCC(=O)OCC CNP0211894.0 [1,1,0,0,0,0|1,0,1]=4 68 B18R0.110 CCC=C(C)CCCCCCCCCCCCCC CNP0198344.0 [1,1,0,0,0,0|2,0,0]=4 69 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC CNP0185766.0 [1,1,0,0,0,0|0,0,0]=2 70 B18R0.110 CCCCCCCCCCCCCOC(=O)COC CNP0609675.0 [1,1,0,0,0,0|2,0,0]=4 71 B18R0.177 CCCCCCCCCCCC[C@@H](O)C(=O)OCC CNP0605272.1 [1,1,0,0,0,0|0,0,0]=2 72 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCO CNP0300092.0 [1,1,0,0,0,0|1,0,0]=3 73 B18R0.3155 CCCCCCCCCCCCCC(=O)OCCC CNP0610537.0 [1,1,0,0,0,0|0,0,0]=2 74 B20R0.22320 CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO CNP0361283.2 [0,1,0,0,0,1|1,0,0]=3 75 B20R0.22320 CCCCCCCCCCCCCC(=O)OC[C@H](O)CO CNP0361283.1 [0,1,0,0,0,1|1,0,0]=3 76 B20R0.2931 CCCCCCC=CCCCCCCCC(=O)OC(C)C CNP0308181.0 [0,2,0,0,0,0|0,0,0]=2 77 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(C)C CNP0001326.0 [0,2,0,0,0,0|1,0,0]=3 78 B20R0.2931 CCCCCCCCCCCCCCCC(=O)OC(C)C CNP0083050.0 [0,2,0,0,0,0|0,0,0]=2 79 B20R0.16581 CCCCC=CCCCCCCCC(=O)OC(CO)CO CNP0506654.0 [0,2,0,0,0,0|0,0,2]=4 80 B20R0.16581 CCCCCCCCCCCCCC(=O)OC(CO)CO CNP0415317.0 [0,2,0,0,0,0|0,0,0]=2 81 B20R0.32384 CCCCCCCCCCCCCC(=O)CC(O)CCC CNP0328904.0 [0,2,0,0,0,0|2,0,0]=4 82 B18R1.1843 C[C@@H]1CCCCCCCCCCCCCOC1=O CNP0362475.1 [0,0,0,1,1,0|1,0,0]=3 83 B18R1.1843 C[C@H]1CCCCCCCCCCCCCOC1=O CNP0362475.2 [0,0,0,1,1,0|1,0,0]=3 84 B20R1.65960 CCCCCCCCCCCCN1C[C@@H](OCC1=O)C CNP0173236.2 [0,0,0,1,0,1|1,0,0]=3 85 B20R1.65960 CCCCCCCCCCCCN1C[C@H](OCC1=O)C CNP0173236.1 [0,0,0,1,0,1|1,0,0]=3 86 B20R1.121667 CCCCCCCCCCCC[C@H]1C(=O)C=C[C@@]1(C)O CNP0320232.1 [0,0,0,1,0,1|2,0,0]=4 87 B20R1.2813712 C=CCCCCCCCCCC[C@H]1C(=O)O[C@H]([C@@H]1O)C CNP0285372.1 [0,1,0,1,0,0|0,0,2]=4 88 B20R1.2813712 CCCC/C=C\CCCCCC[C@@H]1C(=O)O[C@H]([C@@H]1O)C CNP0108091.2 [0,1,0,1,0,0|0,0,2]=4 89 B20R1.2813712 CCCC/C=C\CCCCCC[C@@H]1C(=O)O[C@H]([C@H]1O)C CNP0108091.1 [0,1,0,1,0,0|0,0,2]=4 90 B20R1.2813712 CCCCCCCCCCC/C=C/1\C(=O)O[C@@H]([C@@H]1O)C CNP0154848.1 [0,1,0,1,0,0|0,0,2]=4 91 B20R1.2813712 CCCCCCCCCCC/C=C/1\C(=O)O[C@@H]([C@H]1O)C CNP0154848.3 [0,1,0,1,0,0|0,0,2]=4 92 B20R1.2813712 CCCCCCCCCCC/C=C/1\C(=O)O[C@H]([C@@H]1O)C CNP0154848.4 [0,1,0,1,0,0|0,0,2]=4 93 B20R1.2813712 CCCCCCCCCCC/C=C\1/C(=O)O[C@@H]([C@@H]1O)C CNP0154848.2 [0,1,0,1,0,0|0,0,2]=4 94 B20R1.2813712 CCCCCCCCCCC/C=C\1/C(=O)O[C@@H]([C@H]1O)C CNP0154848.6 [0,1,0,1,0,0|0,0,2]=4 95 B20R1.2813712 CCCCCCCCCCC/C=C\1/C(=O)O[C@H]([C@H]1O)C CNP0154848.5 [0,1,0,1,0,0|0,0,2]=4 96 B20R1.2813712 CCCCCCCCCCC=CC1C(=O)OC(C1O)C CNP0197622.0 [0,1,0,1,0,0|0,0,2]=4 97 B20R0.138 CCCCCCCCCCCCCC(=O)CCOC(=O)C CNP0297631.0 [0,0,0,0,0,2|1,0,1]=4