0 B17R1.11267 C[C@@H]1CCCCCCCCCCCCC(=O)C1 CNP0242080.1 [0,0,0,0,0,0|0,0,0]=0 1 B17R1.11267 C[C@@H]1CCCCCCCCCCCC[C@@H](C1)O CNP0323065.3 [0,0,0,0,0,0|0,0,2]=2 2 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)C1 CNP0242080.2 [0,0,0,0,0,0|0,0,0]=0 3 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)O1 CNP0117066.1 [0,0,0,0,0,0|1,0,0]=1 4 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(C1)O CNP0323065.1 [0,0,0,0,0,0|0,0,2]=2 5 B17R1.11267 C[C@H]1CCCCCCCCCCCC[C@@H](C1)O CNP0323065.2 [0,0,0,0,0,0|0,0,2]=2 6 B16R1.8816 O=C1CCCC=CCCCCCCCCC1 CNP0316245.0 [1,0,0,0,0,0|0,0,2]=3 7 B16R1.8816 O=C1CCCC=CCCCCCCCCO1 CNP0260386.0 [1,0,0,0,0,0|1,0,2]=4 8 B16R1.8816 O=C1CCCCCCCCCCCCCC1 CNP0222423.0 [1,0,0,0,0,0|0,0,0]=1 9 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [1,0,0,0,0,0|1,0,0]=2 10 B16R1.8816 O=C1CCCCCCCCCCOCCO1 CNP0127605.0 [1,0,0,0,0,0|2,0,0]=3 11 B16R1.8816 OC1CCCCCCCCCCCCCC1 CNP0139630.0 [1,0,0,0,0,0|0,0,2]=3 12 B16R0.61 CCCCCCCCCCCCC(=O)CCC CNP0585123.0 [0,0,1,0,0,0|0,0,0]=1 13 B16R0.61 CCCCCCCCCCCCC(=O)OCC CNP0154229.0 [0,0,1,0,0,0|1,0,0]=2 14 B16R0.61 CCCCCCCCCCCCC(O)CCC CNP0221367.0 [0,0,1,0,0,0|0,0,2]=3 15 B16R0.61 CCCCCCCCCCCC[C@H](C)CCC CNP0157313.1 [0,0,1,0,0,0|1,0,1]=3 16 B16R0.61 CCOC(=O)CCCCCCCCCCC=O CNP0602430.0 [0,0,1,0,0,0|2,0,1]=4 17 B16R0.154 CCCCCCCCOS(=O)OC(C)CCC CNP0509845.0 [0,0,1,0,0,0|3,0,0]=4 18 B16R0.194 CCCCCCC(=O)OC(=O)CCCCCC CNP0288014.0 [0,0,1,0,0,0|2,0,1]=4 19 B16R0.274 C=CCCCCCCCCCCCCC(=O)O CNP0603181.0 [0,0,1,0,0,0|1,0,2]=4 20 B16R0.274 CC(=O)CCCCCCCCCCCCCS CNP0302286.0 [0,0,1,0,0,0|1,0,0]=2 21 B16R0.274 CC(C)CCCCCCCCCCCCCO CNP0105559.0 [0,0,1,0,0,0|0,0,2]=3 22 B16R0.274 CC=CCCCCCCCCCCOC(=O)C CNP0169833.0 [0,0,1,0,0,0|1,0,2]=4 23 B16R0.274 CCC=CCCCCCCCCCOC(=O)C CNP0121501.0 [0,0,1,0,0,0|1,0,2]=4 24 B16R0.274 CCCC=CCCCCCCCCCC(=O)C CNP0353158.0 [0,0,1,0,0,0|0,0,2]=3 25 B16R0.274 CCCCC=CCCCCCCCCC(=O)O CNP0380914.0 [0,0,1,0,0,0|1,0,2]=4 26 B16R0.274 CCCCC=CCCCCCCCOC(=O)C CNP0226940.0 [0,0,1,0,0,0|1,0,2]=4 27 B16R0.274 CCCCCC=CCCCCCCCC(=O)C CNP0353143.0 [0,0,1,0,0,0|0,0,2]=3 28 B16R0.274 CCCCCC=CCCCCCCCC(=O)O CNP0117637.0 [0,0,1,0,0,0|1,0,2]=4 29 B16R0.274 CCCCCCCC=CCCCCCC(=O)C CNP0147970.0 [0,0,1,0,0,0|0,0,2]=3 30 B16R0.274 CCCCCCCC=CCCCCCC(=O)O CNP0126394.0 [0,0,1,0,0,0|1,0,2]=4 31 B16R0.274 CCCCCCCCC=CCCCCC(=O)O CNP0402096.0 [0,0,1,0,0,0|1,0,2]=4 32 B16R0.274 CCCCCCCCC=CCCCOC(=O)C CNP0231014.0 [0,0,1,0,0,0|1,0,2]=4 33 B16R0.274 CCCCCCCCCC=CCCCC(=O)O CNP0129624.0 [0,0,1,0,0,0|1,0,2]=4 34 B16R0.274 CCCCCCCCCCC=CCCC(=O)O CNP0133125.0 [0,0,1,0,0,0|1,0,2]=4 35 B16R0.274 CCCCCCCCCCCCC=CC(=O)O CNP0134714.0 [0,0,1,0,0,0|1,0,2]=4 36 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [0,0,1,0,0,0|1,0,1]=3 37 B16R0.274 CCCCCCCCCCCCCCC(=O)C CNP0199817.0 [0,0,1,0,0,0|0,0,0]=1 38 B16R0.274 CCCCCCCCCCCCCCC(=O)N CNP0205548.0 [0,0,1,0,0,0|1,0,0]=2 39 B16R0.274 CCCCCCCCCCCCCCC(=O)O CNP0296248.0 [0,0,1,0,0,0|1,0,0]=2 40 B16R0.274 CCCCCCCCCCCCCCC(=O)S CNP0085720.0 [0,0,1,0,0,0|1,0,0]=2 41 B16R0.274 CCCCCCCCCCCCCCC(C)C CNP0256136.0 [0,0,1,0,0,0|1,0,1]=3 42 B16R0.274 CCCCCCCCCCCCCCN(C)C CNP0466864.0 [0,0,1,0,0,0|2,0,0]=3 43 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [0,0,1,0,0,0|0,0,2]=3 44 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [0,0,1,0,0,0|0,0,2]=3 45 B16R0.274 CCCCCCCCCCCCCNC(=O)C CNP0572123.0 [0,0,1,0,0,0|1,0,0]=2 46 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [0,0,1,0,0,0|1,0,0]=2 47 B16R0.274 CCCCCCCCCCCCNCC(C)C CNP0078582.0 [0,0,1,0,0,0|2,0,1]=4 48 B16R0.274 NCCCCCCCCCCCCCC(=O)O CNP0222186.0 [0,0,1,0,0,0|2,0,0]=3 49 B16R0.274 O=C(O)CCCCCCCCCCCCCO CNP0138691.0 [0,0,1,0,0,0|2,0,0]=3 50 B16R0.302 CC/C=C/CCCCCCC[C@H](C)OC(=O)C CNP0211913.1 [0,0,1,0,0,0|1,0,2]=4 51 B16R0.302 CCCCC=CCCCCOC(=O)CC(C)C CNP0293492.0 [0,0,1,0,0,0|1,0,2]=4 52 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)O CNP0069770.0 [0,0,1,0,0,0|2,0,1]=4 53 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C CNP0001279.0 [0,0,1,0,0,0|1,0,0]=2 54 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C CNP0353162.0 [0,0,1,0,0,0|1,0,0]=2 55 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CNP0114637.1 [0,0,1,0,0,0|2,0,0]=3 56 B16R0.302 CCCCCCCCCCC[C@H](C)OC(=O)C CNP0269231.1 [0,0,1,0,0,0|1,0,0]=2 57 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)C CNP0427680.1 [0,0,1,0,0,0|1,0,0]=2 58 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)O CNP0114637.2 [0,0,1,0,0,0|2,0,0]=3 59 B16R0.302 CCCCCCCCCCOS(=O)OC(C)C CNP0512614.0 [0,0,1,0,0,0|3,0,0]=4 60 B16R0.1182 CCCCCCCCCC[C@H](C)CC(=O)OC CNP0221878.1 [0,0,1,0,0,0|1,0,0]=2 61 B16R0.1182 CCCCCCCCCC[C@H](C)OC(=O)CC CNP0115872.1 [0,0,1,0,0,0|1,0,0]=2 62 B16R0.5998 CCCCCCCC(=O)O[C@H](C)CCCCC CNP0345986.1 [0,0,1,0,0,0|1,0,0]=2 63 B16R1.402 C[C@H]1CCCCCCCCCCCOC1=O CNP0258710.1 [0,0,0,0,1,0|1,0,0]=2 64 B16R1.402 O=C1CCCCCCCCCCCCC1=O CNP0584718.0 [0,0,0,0,1,0|1,0,1]=3 65 B16R1.8780 CC1CCCCCCCCCCCC(=O)C1 CNP0086318.0 [0,0,0,0,1,0|0,0,0]=1 66 B16R1.8780 C[C@@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.1 [0,0,0,0,1,0|1,0,2]=4 67 B16R1.8780 C[C@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.2 [0,0,0,0,1,0|1,0,2]=4 68 B16R1.8780 C[C@H]1CCCCCCCCCCCC(=O)O1 CNP0261950.1 [0,0,0,0,1,0|1,0,0]=2 69 B18R1.14032 C[C@@H]1CCCCCCCCCCCCCC(=O)O1 CNP0420203.1 [0,0,0,0,0,1|1,0,0]=2 70 B18R1.17480 C[C@@H]1CCCCCCCCCCCCC(=O)OC1 CNP0156024.1 [0,0,0,0,0,1|0,0,0]=1 71 B15R0.70 C#CCCCCCCCCCCCCCC CNP0096283.0 [1,0,1,0,0,0|0,0,2]=4 72 B15R0.70 C=CCCCCCCCCCCCCCC CNP0322122.0 [1,0,1,0,0,0|0,0,1]=3 73 B15R0.70 CC=CCCCCCCCCCCCCC CNP0136962.0 [1,0,1,0,0,0|0,0,1]=3 74 B15R0.70 CCC=CCCCCCCCCCCCC CNP0086114.0 [1,0,1,0,0,0|0,0,1]=3 75 B15R0.70 CCCC=CCCCCCCCCCC=O CNP0609859.0 [1,0,1,0,0,0|0,0,2]=4 76 B15R0.70 CCCC=CCCCCCCCCCCO CNP0086283.0 [1,0,1,0,0,0|1,0,1]=4 77 B15R0.70 CCCCCCCC=CCCCCCC=O CNP0281465.0 [1,0,1,0,0,0|0,0,2]=4 78 B15R0.70 CCCCCCCCCCCC=CCC=O CNP0103318.0 [1,0,1,0,0,0|0,0,2]=4 79 B15R0.70 CCCCCCCCCCCCC=CC=O CNP0610784.0 [1,0,1,0,0,0|0,0,2]=4 80 B15R0.70 CCCCCCCCCCCCC=COC CNP0603784.0 [1,0,1,0,0,0|1,0,1]=4 81 B15R0.70 CCCCCCCCCCCCCCC#N CNP0071942.0 [1,0,1,0,0,0|1,0,1]=4 82 B15R0.70 CCCCCCCCCCCCCCC=O CNP0331942.0 [1,0,1,0,0,0|0,0,0]=2 83 B15R0.70 CCCCCCCCCCCCCCCC CNP0250856.0 [1,0,1,0,0,0|0,0,1]=3 84 B15R0.70 CCCCCCCCCCCCCCCN CNP0430437.0 [1,0,1,0,0,0|1,0,1]=4 85 B15R0.70 CCCCCCCCCCCCCCCO CNP0150941.0 [1,0,1,0,0,0|0,0,2]=4 86 B15R0.70 [CH2]CCCCCCCCCCCCCCC CNP0541899.0 [1,0,1,0,0,0|0,0,2]=4 87 B15R0.81 CCCCCCCCCCCCC(=O)OC CNP0210866.0 [1,0,1,0,0,0|1,0,0]=3 88 B15R0.81 CCCCCCCCCCCC[C@@H](C)CC CNP0322318.2 [1,0,1,0,0,0|0,0,1]=3 89 B15R0.81 CCCCCCCCCCCC[C@H](Br)CBr CNP0107528.1 [1,0,1,0,0,0|2,0,0]=4 90 B15R0.81 CCCCCCCCCCCC[C@H](C)CC CNP0322318.1 [1,0,1,0,0,0|0,0,1]=3 91 B15R0.81 CCCCCCCCCCCC[C@H](O)CO CNP0295554.1 [1,0,1,0,0,0|1,0,1]=4 92 B15R0.81 CCCCCCCCCCCOC(=O)CC CNP0236979.0 [1,0,1,0,0,0|1,0,0]=3 93 B15R0.81 CC[C@H](C)CCCCCCCCCCCN CNP0288451.1 [1,0,1,0,0,0|1,0,1]=4 94 B15R0.81 CC[C@H](C)CCCCCCCCCCCO CNP0193546.1 [1,0,1,0,0,0|1,0,1]=4 95 B15R0.81 COC(=O)CCCCCCCCCCCO CNP0267260.0 [1,0,1,0,0,0|2,0,0]=4 96 B15R0.366 CCCCCCCCCCCC(=O)CC=O CNP0349328.0 [1,0,1,0,0,0|1,0,1]=4 97 B15R0.366 CCCCCCCCCCCC(=O)CCO CNP0280181.0 [1,0,1,0,0,0|1,0,0]=3 98 B15R0.366 CCCCCCCCCCCC(=O)NCC CNP0001305.0 [1,0,1,0,0,0|1,0,0]=3 99 B15R0.366 CCCCCCCCCCCC(=O)OCC CNP0263071.0 [1,0,1,0,0,0|1,0,0]=3 100 B15R0.366 CCCCCCCCCCCC(C)CCC CNP0084820.0 [1,0,1,0,0,0|0,0,1]=3 101 B15R0.366 CCCCCCCCCCOC(=O)CCC CNP0186393.0 [1,0,1,0,0,0|1,0,0]=3 102 B15R0.322 CCCCCC(=O)OCCCOCCCC CNP0222713.0 [1,0,1,0,0,0|2,0,0]=4 103 B15R0.322 CCCCCCCCCC(=O)OCCCC CNP0288450.0 [1,0,1,0,0,0|1,0,0]=3 104 B15R0.322 CCCCCCCCOC(=O)CCCCC CNP0294728.0 [1,0,1,0,0,0|1,0,0]=3 105 B15R0.322 CCCCOC(=O)CCCCCCCCO CNP0299327.0 [1,0,1,0,0,0|2,0,0]=4 106 B15R0.3221 CCCCCCCCCC(=O)O[C@H](C)CC CNP0297370.1 [1,0,1,0,0,0|1,0,0]=3 107 B15R0.3221 CCCCCCCCC[C@H](C)CC(=O)OC CNP0308441.1 [1,0,1,0,0,0|1,0,0]=3 108 B15R0.149 CCCCCCCCC(=O)CCCCCC CNP0003490.0 [1,0,1,0,0,0|0,0,0]=2 109 B15R0.149 CCCCCCCCC(C)CCCCCC CNP0602836.0 [1,0,1,0,0,0|0,0,1]=3 110 B15R0.149 CCCCCCCOC(=O)CCCCCC CNP0003070.0 [1,0,1,0,0,0|1,0,0]=3 111 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [1,0,1,0,0,0|1,0,0]=3 112 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [1,0,1,0,0,0|2,0,0]=4 113 B15R0.164 CC(C)CCCCCCCCCCCC#N CNP0071937.0 [1,0,1,0,0,0|1,0,1]=4 114 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [1,0,1,0,0,0|0,0,2]=4 115 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [1,0,1,0,0,0|0,0,0]=2 116 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [1,0,1,0,0,0|1,0,0]=3 117 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [1,0,1,0,0,0|1,0,0]=3 118 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [1,0,1,0,0,0|1,0,0]=3 119 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [1,0,1,0,0,0|1,0,0]=3 120 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [1,0,1,0,0,0|1,0,0]=3 121 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [1,0,1,0,0,0|1,0,0]=3 122 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [1,0,1,0,0,0|1,0,0]=3 123 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [1,0,1,0,0,0|1,0,0]=3 124 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [1,0,1,0,0,0|1,0,0]=3 125 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [1,0,1,0,0,0|1,0,0]=3 126 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [1,0,1,0,0,0|0,0,1]=3 127 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [1,0,1,0,0,0|0,0,2]=4 128 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [1,0,1,0,0,0|0,0,2]=4 129 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [1,0,1,0,0,0|1,0,0]=3 130 B15R0.164 CCCCCCCCCCCCOC(C)C CNP0155066.0 [1,0,1,0,0,0|1,0,1]=4 131 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [1,0,1,0,0,0|2,0,0]=4 132 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [1,0,1,0,0,0|2,0,0]=4 133 B15R0.69 CCCCCCCCCCC(C)CC(=O)O CNP0273459.0 [1,0,1,0,0,0|1,0,0]=3 134 B15R0.69 CCCCCCCCCC[C@H](C)OC(=O)C CNP0204455.1 [1,0,1,0,0,0|1,0,0]=3 135 B15R0.69 CCCCCCCCCC[C@H](O)CC(=O)O CNP0272673.1 [1,0,1,0,0,0|2,0,0]=4 136 B15R0.69 CCCCCCCCCOC(=O)CC(C)C CNP0002721.0 [1,0,1,0,0,0|1,0,0]=3 137 B15R0.2002 CCCCCCCCCC[C@H](C)CCCC CNP0220611.1 [1,0,1,0,0,0|0,0,1]=3 138 B15R0.133 CCCCCCCC(=O)CCCCCCC CNP0109225.0 [1,0,1,0,0,0|0,0,0]=2 139 B15R0.133 CCCCCCCC(=O)OCCCCCC CNP0359123.0 [1,0,1,0,0,0|1,0,0]=3 140 B15R0.133 CCCCCCCC(O)CCCCCCC CNP0547904.0 [1,0,1,0,0,0|0,0,2]=4 141 B15R1.2988 C1CCCCCCCCCCCCCC1 CNP0076970.0 [2,0,0,0,0,0|0,0,1]=3 142 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)O CNP0495608.0 [0,1,1,0,0,0|1,0,1]=4 143 B17R0.116 CCCCCCCCCCCC[C@H](C)CC(=O)O CNP0018672.1 [0,1,1,0,0,0|0,0,0]=2 144 B17R0.116 CCCCCCCCCCCC[C@H](O)CC(=O)O CNP0107830.1 [0,1,1,0,0,0|1,0,0]=3 145 B17R0.196 CCCCCCCCCCCC[C@H](C)CCCC CNP0170771.1 [0,1,1,0,0,0|1,0,1]=4 146 B17R0.196 CCCCCCCCCCCC[C@H](C)CCCO CNP0302364.1 [0,1,1,0,0,0|0,0,2]=4 147 B17R0.231 CCCCCCCCCCC(O)CC(=O)OCC CNP0562450.0 [0,1,1,0,0,0|1,0,0]=3 148 B17R0.250 CCCCC=CCCCCCCCC(=O)OCC CNP0272144.0 [0,1,1,0,0,0|1,0,1]=4 149 B17R0.250 CCCCCCCCC=CCCCC(=O)OCC CNP0208913.0 [0,1,1,0,0,0|1,0,1]=4 150 B17R0.250 CCCCCCCCCC=CCCC(=O)OCC CNP0143800.0 [0,1,1,0,0,0|1,0,1]=4 151 B17R0.250 CCCCCCCCCCCCCC(=O)CCO CNP0135132.0 [0,1,1,0,0,0|1,0,0]=3 152 B17R0.250 CCCCCCCCCCCCCC(=O)OCC CNP0218436.0 [0,1,1,0,0,0|1,0,0]=3 153 B17R0.250 CCCCCCCCCCCCC[C@@H](C)CCC CNP0352907.2 [0,1,1,0,0,0|1,0,1]=4 154 B17R0.250 CCCCCCCCCCCCC[C@H](C)CCC CNP0352907.1 [0,1,1,0,0,0|1,0,1]=4 155 B17R0.250 CCCCCCCCCCCCOC(=O)CCC CNP0291364.0 [0,1,1,0,0,0|0,0,0]=2 156 B17R0.250 CCCCCCCCCCCCOC(=O)CCS CNP0580650.0 [0,1,1,0,0,0|1,0,0]=3 157 B17R0.250 CCOC(=O)CCCCCCCCCCCC=O CNP0018675.0 [0,1,1,0,0,0|1,0,1]=4 158 B17R0.114 CCCCCCCCC[C@H](C)OC(=O)CC(C)C CNP0222281.1 [0,1,1,0,0,0|1,0,0]=3 159 B17R0.8814 CCCCCCCCCC(C)OC(=O)C(C)CC CNP0185395.0 [0,1,1,0,0,0|1,0,0]=3 160 B17R0.8814 CCCCCCCCC[C@H](C)OC(=O)[C@H](C)CC CNP0185395.1 [0,1,1,0,0,0|1,0,0]=3 161 B17R0.7631 CCCCCCCC(C)CC(C)CCCCCC CNP0486116.0 [0,1,1,0,0,0|1,0,1]=4 162 B17R0.7631 CCCCCCOC(=O)C[C@H](O)CCCCCC CNP0181554.1 [0,1,1,0,0,0|1,0,0]=3 163 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)O CNP0013033.0 [0,1,1,0,0,0|1,0,1]=4 164 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O CNP0346646.0 [0,1,1,0,0,0|1,0,1]=4 165 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O CNP0402177.0 [0,1,1,0,0,0|1,0,1]=4 166 B17R0.43 C=CCCCCCCCCCCCCOC(=O)C CNP0110132.0 [0,1,1,0,0,0|0,0,2]=4 167 B17R0.43 CC=CCCCCCCCCCCCOC(=O)C CNP0302921.0 [0,1,1,0,0,0|0,0,2]=4 168 B17R0.43 CCC=CCCCCCCCCCCCC(=O)O CNP0122829.0 [0,1,1,0,0,0|1,0,1]=4 169 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C CNP0286863.0 [0,1,1,0,0,0|0,0,2]=4 170 B17R0.43 CCCC=CCCCCCCCCCOC(=O)C CNP0105547.0 [0,1,1,0,0,0|0,0,2]=4 171 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O CNP0136432.0 [0,1,1,0,0,0|1,0,1]=4 172 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C CNP0323196.0 [0,1,1,0,0,0|0,0,2]=4 173 B17R0.43 CCCCCC=CCCCCCCCCC(=O)O CNP0252758.0 [0,1,1,0,0,0|1,0,1]=4 174 B17R0.43 CCCCCC=CCCCCCCCOC(=O)C CNP0165597.0 [0,1,1,0,0,0|0,0,2]=4 175 B17R0.43 CCCCCCC=CCCCCCCCC(=O)C CNP0313191.0 [0,1,1,0,0,0|0,0,1]=3 176 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N CNP0531393.0 [0,1,1,0,0,0|1,0,1]=4 177 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O CNP0307038.0 [0,1,1,0,0,0|1,0,1]=4 178 B17R0.43 CCCCCCC=CCCCCCCOC(=O)C CNP0286306.0 [0,1,1,0,0,0|0,0,2]=4 179 B17R0.43 CCCCCCCC=CCCCCCCC(=O)O CNP0573774.0 [0,1,1,0,0,0|1,0,1]=4 180 B17R0.43 CCCCCCCC=CCCCCCOC(=O)C CNP0152601.0 [0,1,1,0,0,0|0,0,2]=4 181 B17R0.43 CCCCCCCCC#CCCCCCC(=O)O CNP0281107.0 [0,1,1,0,0,0|1,0,1]=4 182 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O CNP0272289.0 [0,1,1,0,0,0|1,0,1]=4 183 B17R0.43 CCCCCCCCC=CCCCCOC(=O)C CNP0250860.0 [0,1,1,0,0,0|0,0,2]=4 184 B17R0.43 CCCCCCCCCC#CCCCCC(=O)O CNP0216850.0 [0,1,1,0,0,0|1,0,1]=4 185 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O CNP0204690.0 [0,1,1,0,0,0|1,0,1]=4 186 B17R0.43 CCCCCCCCCCC=CCCCC(=O)O CNP0204286.0 [0,1,1,0,0,0|1,0,1]=4 187 B17R0.43 CCCCCCCCCCCC=CCCC(=O)O CNP0187858.0 [0,1,1,0,0,0|1,0,1]=4 188 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O CNP0135366.0 [0,1,1,0,0,0|1,0,1]=4 189 B17R0.43 CCCCCCCCCCCCC=COC(=O)C CNP0520630.0 [0,1,1,0,0,0|0,0,2]=4 190 B17R0.43 CCCCCCCCCCCCCC=CC(=O)C CNP0381442.0 [0,1,1,0,0,0|0,0,1]=3 191 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O CNP0340973.0 [0,1,1,0,0,0|1,0,1]=4 192 B17R0.43 CCCCCCCCCCCCCCCC(=O)C CNP0188334.0 [0,1,1,0,0,0|0,0,0]=2 193 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl CNP0198740.0 [0,1,1,0,0,0|1,0,0]=3 194 B17R0.43 CCCCCCCCCCCCCCCC(=O)N CNP0243925.0 [0,1,1,0,0,0|1,0,0]=3 195 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CNP0420987.0 [0,1,1,0,0,0|1,0,0]=3 196 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0495891.0 [0,1,1,0,0,0|1,0,0]=3 197 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0499278.0 [0,1,1,0,0,0|1,0,0]=3 198 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0554778.0 [0,1,1,0,0,0|1,0,0]=3 199 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0601923.0 [0,1,1,0,0,0|1,0,0]=3 200 B17R0.43 CCCCCCCCCCCCCCCC(C)C CNP0264011.0 [0,1,1,0,0,0|1,0,1]=4 201 B17R0.43 CCCCCCCCCCCCCCCC(C)O CNP0605434.0 [0,1,1,0,0,0|0,0,2]=4 202 B17R0.43 CCCCCCCCCCCCCCOC(=O)C CNP0192551.0 [0,1,1,0,0,0|0,0,0]=2 203 B17R0.43 O=C(O)CCCCCCCCCCCCCCO CNP0323800.0 [0,1,1,0,0,0|1,0,0]=3 204 B17R0.43 [2H]C(=O)CCCCCCCCCCCCCCC CNP0578199.0 [0,1,1,0,0,0|1,0,0]=3 205 B17R0.170 CCCC[C@H](C)CCCCCCCCCC(=O)O CNP0168232.1 [0,1,1,0,0,0|1,0,0]=3 206 B17R0.170 CCCC[C@H](O)CCCCCCCCCC(=O)O CNP0243700.1 [0,1,1,0,0,0|1,0,0]=3 207 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C CNP0253197.0 [0,1,1,0,0,0|1,0,1]=4 208 B17R0.195 CCC(C)CCCCCCCCCCCCCO CNP0186607.0 [0,1,1,0,0,0|0,0,2]=4 209 B17R0.195 CCC(C)CCCCCCCCCCCCOC CNP0581565.0 [0,1,1,0,0,0|2,0,0]=4 210 B17R0.195 CCCCCCC=CCCCCCCC(=O)OC CNP0367708.0 [0,1,1,0,0,0|0,0,2]=4 211 B17R0.195 CCCCCCCCCCCCCCC(=O)OC CNP0149579.0 [0,1,1,0,0,0|0,0,0]=2 212 B17R0.195 CCCCCCCCCCCCCCC(O)C=O CNP0083434.0 [0,1,1,0,0,0|1,0,1]=4 213 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CC CNP0284060.2 [0,1,1,0,0,0|0,0,2]=4 214 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO CNP0112696.1 [0,1,1,0,0,0|0,0,2]=4 215 B17R0.195 CCCCCCCCCCCCCC[C@H](C)CC CNP0486792.1 [0,1,1,0,0,0|1,0,1]=4 216 B17R0.195 CCCCCCCCCCCCCC[C@H](C)CO CNP0153530.1 [0,1,1,0,0,0|0,0,2]=4 217 B17R0.195 CCCCCCCCCCCCCC[C@H](O)CC CNP0284060.1 [0,1,1,0,0,0|0,0,2]=4 218 B17R0.195 CC[C@@H](C)CCCC/C=C/CCCCCCC=O CNP0395895.2 [0,1,1,0,0,0|0,0,2]=4 219 B17R0.195 CC[C@@H](C)CCCC/C=C\CCCCCCC=O CNP0395895.4 [0,1,1,0,0,0|0,0,2]=4 220 B17R0.195 CC[C@H](C)CCCC/C=C/CCCCCCC=O CNP0395895.1 [0,1,1,0,0,0|0,0,2]=4 221 B17R0.195 CC[C@H](C)CCCC/C=C\CCCCCCC=O CNP0395895.3 [0,1,1,0,0,0|0,0,2]=4 222 B17R0.195 COC(=O)CCCCCCCCCCCCCO CNP0332818.0 [0,1,1,0,0,0|1,0,0]=3 223 B17R0.197 CCCCCCCCCCCCCCC(C)(C)C CNP0171735.0 [0,1,1,0,0,0|1,0,1]=4 224 B17R0.1713 CC(=O)CCCCCCCC=CCCCC(C)C CNP0310266.0 [0,1,1,0,0,0|0,0,2]=4 225 B17R0.1713 CC(Br)CCCCCCCCCCCCC(=O)O CNP0076675.0 [0,1,1,0,0,0|1,0,0]=3 226 B17R0.1713 CC(C)CCCC=CCCCCCCCC(=O)O CNP0173044.0 [0,1,1,0,0,0|0,0,2]=4 227 B17R0.1713 CC(C)CCCCCCC=CCCCCC(=O)O CNP0394526.0 [0,1,1,0,0,0|0,0,2]=4 228 B17R0.1713 CC(C)CCCCCCCC=CCCCC(=O)O CNP0017632.0 [0,1,1,0,0,0|0,0,2]=4 229 B17R0.1713 CC(C)CCCCCCCCC=CCCC(=O)O CNP0306603.0 [0,1,1,0,0,0|0,0,2]=4 230 B17R0.1713 CC(C)CCCCCCCCCCC=CC(=O)O CNP0486257.0 [0,1,1,0,0,0|0,0,2]=4 231 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O CNP0340738.0 [0,1,1,0,0,0|0,0,0]=2 232 B17R0.8801 CCCCCCCCC[C@H](O)CCCCC(=O)O CNP0287679.1 [0,1,1,0,0,0|1,0,0]=3 233 B17R0.14245 C=CCCCCCCCCCCC[C@@H](O)[C@H](C)N CNP0586692.1 [0,1,1,0,0,0|2,0,0]=4 234 B17R0.14245 CCCCCCCCCCCCCC(Br)C(=O)O CNP0085793.0 [0,1,1,0,0,0|1,0,0]=3 235 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)C CNP0561213.0 [0,1,1,0,0,0|0,0,0]=2 236 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)O CNP0333673.0 [0,1,1,0,0,0|1,0,0]=3 237 B17R0.14245 CCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0203568.2 [0,1,1,0,0,0|1,0,0]=3 238 B17R0.14245 CCCCCCCCCCCCC[C@H](O)C(=O)O CNP0203568.1 [0,1,1,0,0,0|1,0,0]=3 239 B17R0.14363 CC(C)CCCCCCCCCCCN(O)N=O CNP0325141.0 [0,1,1,0,0,0|2,0,0]=4 240 B17R0.14363 CC(C)CCCCCCCCCCC[C@H](O)CO CNP0109564.1 [0,1,1,0,0,0|0,0,2]=4 241 B17R0.14363 CC[C@@H](C)CCCCCCCCCCCC(=O)O CNP0185348.2 [0,1,1,0,0,0|1,0,0]=3 242 B17R0.14363 CC[C@H](C)CCCCCCCCCCCC(=O)O CNP0185348.1 [0,1,1,0,0,0|1,0,0]=3 243 B17R0.14363 CC[C@H](O)CCCCCCCCCCCC(=O)O CNP0388837.1 [0,1,1,0,0,0|1,0,0]=3 244 B17R0.67 CCC[C@H](O)CCCCCCC[C@H](O)CC(=O)O CNP0147855.1 [0,1,1,0,0,0|2,0,0]=4 245 B17R0.13601 CCCCCCCCCCCC(=O)O[C@H](C)CC CNP0321212.1 [0,1,1,0,0,0|1,0,0]=3 246 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)OC CNP0497676.0 [0,1,1,0,0,0|1,0,0]=3 247 B17R0.13601 CCCCCCCCCCC[C@H](C)CC(=O)OC CNP0138746.1 [0,1,1,0,0,0|0,0,0]=2 248 B17R0.13612 CCCCCCCCCCCC(=O)O[Si](C)(C)C CNP0207062.0 [0,1,1,0,0,0|1,1,0]=4 249 B17R0.13612 CCCCCCCCCCOC(=O)C[N+](C)(C)C CNP0552309.0 [0,1,1,0,0,0|2,0,0]=4 250 B17R1.444 O=C1CCCCCCCCCCCCCC1O CNP0524324.0 [1,1,0,0,0,0|0,0,0]=2 251 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 CNP0236947.0 [1,1,0,0,0,0|0,0,1]=3 252 B17R1.1425 CCCCCCCCCCCCC1CCCS1 CNP0297901.0 [0,0,1,1,0,0|0,1,1]=4 253 B17R1.5241 CCCCCCCCCCCC1CCN=C1C CNP0175184.0 [0,0,1,1,0,0|2,0,0]=4 254 B17R1.5241 CCCCCCCCCCC[C@H]1CCN=C1C CNP0175184.1 [0,0,1,1,0,0|2,0,0]=4 255 B17R1.11019 CCCCCCCCCCCOC(=O)C1CC1 CNP0503075.0 [0,0,1,1,0,0|1,0,0]=3 256 B17R1.11298 C[C@H]1CCCCCCCCCCCCCNC1 CNP0272412.1 [0,0,1,1,0,0|2,0,0]=4 257 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 CNP0332126.0 [0,0,1,1,0,0|1,0,0]=3 258 B17R1.11298 OC1CCCCCCCCCCCCCCC1 CNP0578812.0 [0,0,1,1,0,0|0,0,2]=4 259 B17R1.278 CCCCCCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0403529.1 [0,0,1,1,0,0|2,0,0]=4 260 B17R1.9279 O=C(O)CCCCCCCCCC1CCCC1 CNP0595235.0 [0,0,1,1,0,0|1,0,0]=3 261 B17R1.29093 CCCCCCCCCCCCCC[C@@H]1CO1 CNP0238829.1 [0,0,1,1,0,0|0,0,2]=4 262 B15R0.1954 CCCCCCC(=O)C(=O)CCCCCC CNP0597610.0 [0,0,1,0,1,0|1,0,1]=4 263 B15R0.84 CCCCCCCCCCCC(C)C(=O)O CNP0596867.0 [0,0,1,0,1,0|1,0,0]=3 264 B15R0.84 CCCCCCCCCCCC(N)C(=O)O CNP0041447.0 [0,0,1,0,1,0|2,0,0]=4 265 B15R0.84 CCCCCCCCCCC[C@@H](C)C(=O)C CNP0377330.1 [0,0,1,0,1,0|0,0,0]=2 266 B15R0.84 CCCCCCCCCCC[C@@H](O)C(=O)O CNP0340683.1 [0,0,1,0,1,0|2,0,0]=4 267 B15R0.84 CCCCCCCCCCOC(=O)C(C)C CNP0611686.0 [0,0,1,0,1,0|1,0,0]=3 268 B15R0.324 CCCCCCCCCC[C@@H](C)C(=O)OC CNP0245672.1 [0,0,1,0,1,0|1,0,0]=3 269 B15R0.324 CCCCCCCCCOC(=O)[C@H](C)CC CNP0326716.1 [0,0,1,0,1,0|1,0,0]=3 270 B15R1.6595 C[C@H]1CCCCCCCNCCCNC1 CNP0145733.1 [1,0,0,0,1,0|2,0,0]=4 271 B15R1.6595 O=C1C=CCCCCCCCCCCC1 CNP0071987.0 [1,0,0,0,1,0|0,0,2]=4 272 B15R1.6595 O=C1CCCC=CCCCCCCCC1 CNP0321790.0 [1,0,0,0,1,0|0,0,2]=4 273 B15R1.6595 O=C1CCCCCCCCCCCCC1 CNP0211498.0 [1,0,0,0,1,0|0,0,0]=2 274 B15R1.6595 O=C1CCCCCCCCCCCCO1 CNP0407259.0 [1,0,0,0,1,0|1,0,0]=3 275 B15R1.253 N[C@H]1CCCCCCCCCCNC1=O CNP0547506.1 [0,0,0,0,2,0|2,0,0]=4 276 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)C1 CNP0104860.1 [0,0,0,0,2,0|0,0,0]=2 277 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)O1 CNP0233115.1 [0,0,0,0,2,0|1,0,0]=3