0 B16R0.274 C=CCCCCCCCCCCCCC(=O)O CNP0603181.0 [0,0,0,0,0,0|0,0,2]=2 1 B16R0.274 CC(=O)CCCCCCCCCCCCCS CNP0302286.0 [0,0,0,0,0,0|2,0,0]=2 2 B16R0.274 CC(C)CCCCCCCCCCCCCO CNP0105559.0 [0,0,0,0,0,0|3,0,1]=4 3 B16R0.274 CC=CCCCCCCCCCCOC(=O)C CNP0169833.0 [0,0,0,0,0,0|2,0,2]=4 4 B16R0.274 CCC=CCCCCCCCCCOC(=O)C CNP0121501.0 [0,0,0,0,0,0|2,0,2]=4 5 B16R0.274 CCCC=CCCCCCCCCCC(=O)C CNP0353158.0 [0,0,0,0,0,0|1,0,2]=3 6 B16R0.274 CCCCC#CCC#CCCCCCC(=O)O CNP0165671.0 [0,0,0,0,0,0|0,0,4]=4 7 B16R0.274 CCCCC=CCCCC=CCCCC(=O)O CNP0199520.0 [0,0,0,0,0,0|0,0,4]=4 8 B16R0.274 CCCCC=CCCCCCCCCC(=O)O CNP0380914.0 [0,0,0,0,0,0|0,0,2]=2 9 B16R0.274 CCCCC=CCCCCCCCOC(=O)C CNP0226940.0 [0,0,0,0,0,0|2,0,2]=4 10 B16R0.274 CCCCCC=CCCCCCCCC(=O)C CNP0353143.0 [0,0,0,0,0,0|1,0,2]=3 11 B16R0.274 CCCCCC=CCCCCCCCC(=O)O CNP0117637.0 [0,0,0,0,0,0|0,0,2]=2 12 B16R0.274 CCCCCCC=CCC#CCCCC(=O)O CNP0389780.0 [0,0,0,0,0,0|0,0,4]=4 13 B16R0.274 CCCCCCCC=CCCCCCC(=O)C CNP0147970.0 [0,0,0,0,0,0|1,0,2]=3 14 B16R0.274 CCCCCCCC=CCCCCCC(=O)O CNP0126394.0 [0,0,0,0,0,0|0,0,2]=2 15 B16R0.274 CCCCCCCCC=CCCCCC(=O)O CNP0402096.0 [0,0,0,0,0,0|0,0,2]=2 16 B16R0.274 CCCCCCCCC=CCCCOC(=O)C CNP0231014.0 [0,0,0,0,0,0|2,0,2]=4 17 B16R0.274 CCCCCCCCCC=CCCCC(=O)O CNP0129624.0 [0,0,0,0,0,0|0,0,2]=2 18 B16R0.274 CCCCCCCCCCC=CC=CC(=O)O CNP0003419.0 [0,0,0,0,0,0|0,0,4]=4 19 B16R0.274 CCCCCCCCCCC=CCCC(=O)O CNP0133125.0 [0,0,0,0,0,0|0,0,2]=2 20 B16R0.274 CCCCCCCCCCCCC=CC(=O)O CNP0134714.0 [0,0,0,0,0,0|0,0,2]=2 21 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [0,0,0,0,0,0|2,0,1]=3 22 B16R0.274 CCCCCCCCCCCCCCC(=O)C CNP0199817.0 [0,0,0,0,0,0|1,0,0]=1 23 B16R0.274 CCCCCCCCCCCCCCC(=O)N CNP0205548.0 [0,0,0,0,0,0|1,0,0]=1 24 B16R0.274 CCCCCCCCCCCCCCC(=O)O CNP0296248.0 [0,0,0,0,0,0|0,0,0]=0 25 B16R0.274 CCCCCCCCCCCCCCC(=O)S CNP0085720.0 [0,0,0,0,0,0|0,1,0]=1 26 B16R0.274 CCCCCCCCCCCCCCC(C)C CNP0256136.0 [0,0,0,0,0,0|2,0,1]=3 27 B16R0.274 CCCCCCCCCCCCCCN(C)C CNP0466864.0 [0,0,0,0,0,0|3,0,0]=3 28 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [0,0,0,0,0,0|1,0,1]=2 29 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [0,0,0,0,0,0|1,0,1]=2 30 B16R0.274 CCCCCCCCCCCCCNC(=O)C CNP0572123.0 [0,0,0,0,0,0|2,0,0]=2 31 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [0,0,0,0,0,0|2,0,0]=2 32 B16R0.274 CCCCCCCCCCCCNCC(C)C CNP0078582.0 [0,0,0,0,0,0|3,0,1]=4 33 B16R0.274 NCCCCCCCCCCCCCC(=O)O CNP0222186.0 [0,0,0,0,0,0|1,0,0]=1 34 B16R0.274 O=C(O)CCCCCCCCCC=CCCO CNP0264070.0 [0,0,0,0,0,0|1,0,2]=3 35 B16R0.274 O=C(O)CCCCCCCCCCCCCO CNP0138691.0 [0,0,0,0,0,0|1,0,0]=1 36 B15R0.70 BrCCCCCCCCCCCCCCBr CNP0564678.0 [1,0,0,0,0,0|2,0,1]=4 37 B15R0.70 C#CCCCCCCCCCCCCCC CNP0096283.0 [1,0,0,0,0,0|1,0,1]=3 38 B15R0.70 C=CCCCCCCCCCCCCC=C CNP0600490.0 [1,0,0,0,0,0|1,0,2]=4 39 B15R0.70 C=CCCCCCCCCCCCCCC CNP0322122.0 [1,0,0,0,0,0|1,0,0]=2 40 B15R0.70 CC=CCCCCCCCCCCCCC CNP0136962.0 [1,0,0,0,0,0|1,0,1]=3 41 B15R0.70 CCCC=CCCCCCCCCCC=O CNP0609859.0 [1,0,0,0,0,0|0,0,2]=3 42 B15R0.70 CCCC=CCCCCCCCCCCO CNP0086283.0 [1,0,0,0,0,0|0,0,3]=4 43 B15R0.70 CCCCC=CCCCCCCCCCO CNP0272090.0 [1,0,0,0,0,0|0,0,3]=4 44 B15R0.70 CCCCCC=CCCCCCCCCO CNP0264324.0 [1,0,0,0,0,0|0,0,3]=4 45 B15R0.70 CCCCCCCC=CCCCCCC=O CNP0281465.0 [1,0,0,0,0,0|0,0,2]=3 46 B15R0.70 CCCCCCCCCCCC=CCC=O CNP0103318.0 [1,0,0,0,0,0|0,0,2]=3 47 B15R0.70 CCCCCCCCCCCCC#CCO CNP0086208.0 [1,0,0,0,0,0|0,0,3]=4 48 B15R0.70 CCCCCCCCCCCCC=CC=O CNP0610784.0 [1,0,0,0,0,0|0,0,2]=3 49 B15R0.70 CCCCCCCCCCCCCC#CO CNP0526632.0 [1,0,0,0,0,0|0,0,2]=3 50 B15R0.70 CCCCCCCCCCCCCCC#N CNP0071942.0 [1,0,0,0,0,0|1,0,1]=3 51 B15R0.70 CCCCCCCCCCCCCCC=O CNP0331942.0 [1,0,0,0,0,0|0,0,0]=1 52 B15R0.70 CCCCCCCCCCCCCCCC CNP0250856.0 [1,0,0,0,0,0|1,0,1]=3 53 B15R0.70 CCCCCCCCCCCCCCCN CNP0430437.0 [1,0,0,0,0,0|1,0,1]=3 54 B15R0.70 CCCCCCCCCCCCCCCO CNP0150941.0 [1,0,0,0,0,0|0,0,1]=2 55 B15R0.70 OCCCCCCCCCCCCCCO CNP0086028.0 [1,0,0,0,0,0|1,0,1]=3 56 B15R0.70 [CH2]CCCCCCCCCCCCCCC CNP0541899.0 [1,0,0,0,0,0|1,0,1]=3 57 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [1,0,0,0,0,0|2,0,0]=3 58 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [1,0,0,0,0,0|3,0,0]=4 59 B15R0.164 CCC=CCCCCCCCCCC(=O)O CNP0128284.0 [1,0,0,0,0,0|0,0,2]=3 60 B15R0.164 CCCC=CCCCCCCCCC(=O)O CNP0296382.0 [1,0,0,0,0,0|0,0,2]=3 61 B15R0.164 CCCCC=CCCCCCCCC(=O)O CNP0275417.0 [1,0,0,0,0,0|0,0,2]=3 62 B15R0.164 CCCCCC=CCCCCCCC(=O)O CNP0610378.0 [1,0,0,0,0,0|0,0,2]=3 63 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [1,0,0,0,0,0|1,0,2]=4 64 B15R0.164 CCCCCCC=CCCCCCC(=O)O CNP0217475.0 [1,0,0,0,0,0|0,0,2]=3 65 B15R0.164 CCCCCCCC=CCCCCC(=O)O CNP0592369.0 [1,0,0,0,0,0|0,0,2]=3 66 B15R0.164 CCCCCCCCC#CCCCC(=O)O CNP0087239.0 [1,0,0,0,0,0|0,0,2]=3 67 B15R0.164 CCCCCCCCC=CCCCC(=O)O CNP0243360.0 [1,0,0,0,0,0|0,0,2]=3 68 B15R0.164 CCCCCCCCCC=CCCC(=O)O CNP0153002.0 [1,0,0,0,0,0|0,0,2]=3 69 B15R0.164 CCCCCCCCCCC=CCC(=O)O CNP0286494.0 [1,0,0,0,0,0|0,0,2]=3 70 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [1,0,0,0,0,0|0,0,2]=3 71 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [1,0,0,0,0,0|1,0,0]=2 72 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [1,0,0,0,0,0|1,0,0]=2 73 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [1,0,0,0,0,0|1,0,0]=2 74 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [1,0,0,0,0,0|0,0,0]=1 75 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [1,0,0,0,0,0|0,0,1]=2 76 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [1,0,0,0,0,0|0,0,1]=2 77 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [1,0,0,0,0,0|0,0,1]=2 78 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [1,0,0,0,0,0|0,0,1]=2 79 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [1,0,0,0,0,0|0,0,1]=2 80 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [1,0,0,0,0,0|0,0,1]=2 81 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [1,0,0,0,0,0|0,0,1]=2 82 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [1,0,0,0,0,0|2,0,1]=4 83 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [1,0,0,0,0,0|1,0,1]=3 84 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [1,0,0,0,0,0|1,0,1]=3 85 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [1,0,0,0,0,0|2,0,0]=3 86 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [1,0,0,0,0,0|1,0,0]=2 87 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [1,0,0,0,0,0|1,0,0]=2 88 B15R0.164 O=CCCCCCCCCCCCC(=O)O CNP0017740.0 [1,0,0,0,0,0|1,0,1]=3 89 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)O CNP0013033.0 [0,1,0,0,0,0|0,0,1]=2 90 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O CNP0346646.0 [0,1,0,0,0,0|0,0,1]=2 91 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O CNP0402177.0 [0,1,0,0,0,0|0,0,1]=2 92 B17R0.43 C=CCCCCCCCCCCCCOC(=O)C CNP0110132.0 [0,1,0,0,0,0|1,0,2]=4 93 B17R0.43 CC=CCCCCCCCCCCCOC(=O)C CNP0302921.0 [0,1,0,0,0,0|1,0,2]=4 94 B17R0.43 CCC=CCCCCCCCCCCCC(=O)O CNP0122829.0 [0,1,0,0,0,0|0,0,1]=2 95 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C CNP0286863.0 [0,1,0,0,0,0|1,0,2]=4 96 B17R0.43 CCCC=CCC=CCCCCCCCC(=O)O CNP0205384.0 [0,1,0,0,0,0|0,0,3]=4 97 B17R0.43 CCCC=CCCCCCCCCCOC(=O)C CNP0105547.0 [0,1,0,0,0,0|1,0,2]=4 98 B17R0.43 CCCCC=CC#CCCCCCCCC(=O)O CNP0339219.0 [0,1,0,0,0,0|0,0,3]=4 99 B17R0.43 CCCCC=CCCCC=CCCCCC(=O)O CNP0253493.0 [0,1,0,0,0,0|0,0,3]=4 100 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O CNP0136432.0 [0,1,0,0,0,0|0,0,1]=2 101 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C CNP0323196.0 [0,1,0,0,0,0|1,0,2]=4 102 B17R0.43 CCCCCC#CCC=CCCCCCC(=O)O CNP0266252.0 [0,1,0,0,0,0|0,0,3]=4 103 B17R0.43 CCCCCC=CCC=CCCCCCC(=O)O CNP0227675.0 [0,1,0,0,0,0|0,0,3]=4 104 B17R0.43 CCCCCC=CCCCCCCCCC(=O)O CNP0252758.0 [0,1,0,0,0,0|0,0,1]=2 105 B17R0.43 CCCCCC=CCCCCCCCOC(=O)C CNP0165597.0 [0,1,0,0,0,0|1,0,2]=4 106 B17R0.43 CCCCCCC=CCC=CCCCCC(=O)O CNP0314863.0 [0,1,0,0,0,0|0,0,3]=4 107 B17R0.43 CCCCCCC=CCCC=CCCCC(=O)O CNP0189604.0 [0,1,0,0,0,0|0,0,3]=4 108 B17R0.43 CCCCCCC=CCCCC=CCCC(=O)O CNP0169031.0 [0,1,0,0,0,0|0,0,3]=4 109 B17R0.43 CCCCCCC=CCCCCCCCC(=O)C CNP0313191.0 [0,1,0,0,0,0|1,0,1]=3 110 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N CNP0531393.0 [0,1,0,0,0,0|1,0,1]=3 111 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O CNP0307038.0 [0,1,0,0,0,0|0,0,1]=2 112 B17R0.43 CCCCCCC=CCCCCCCOC(=O)C CNP0286306.0 [0,1,0,0,0,0|1,0,2]=4 113 B17R0.43 CCCCCCCC=CCCCCCCC(=O)O CNP0573774.0 [0,1,0,0,0,0|0,0,1]=2 114 B17R0.43 CCCCCCCC=CCCCCCOC(=O)C CNP0152601.0 [0,1,0,0,0,0|1,0,2]=4 115 B17R0.43 CCCCCCCCC#CCCCCCC(=O)O CNP0281107.0 [0,1,0,0,0,0|0,0,1]=2 116 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O CNP0272289.0 [0,1,0,0,0,0|0,0,1]=2 117 B17R0.43 CCCCCCCCC=CCCCCOC(=O)C CNP0250860.0 [0,1,0,0,0,0|1,0,2]=4 118 B17R0.43 CCCCCCCCCC#CCCCCC(=O)O CNP0216850.0 [0,1,0,0,0,0|0,0,1]=2 119 B17R0.43 CCCCCCCCCC=CCC=CCC(=O)O CNP0170791.0 [0,1,0,0,0,0|0,0,3]=4 120 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O CNP0204690.0 [0,1,0,0,0,0|0,0,1]=2 121 B17R0.43 CCCCCCCCCCC=CCCCC(=O)O CNP0204286.0 [0,1,0,0,0,0|0,0,1]=2 122 B17R0.43 CCCCCCCCCCCC=CC=CC(=O)O CNP0401101.0 [0,1,0,0,0,0|0,0,3]=4 123 B17R0.43 CCCCCCCCCCCC=CCCC(=O)O CNP0187858.0 [0,1,0,0,0,0|0,0,1]=2 124 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O CNP0135366.0 [0,1,0,0,0,0|0,0,1]=2 125 B17R0.43 CCCCCCCCCCCCC=COC(=O)C CNP0520630.0 [0,1,0,0,0,0|1,0,2]=4 126 B17R0.43 CCCCCCCCCCCCCC=CC(=O)C CNP0381442.0 [0,1,0,0,0,0|1,0,1]=3 127 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O CNP0340973.0 [0,1,0,0,0,0|0,0,1]=2 128 B17R0.43 CCCCCCCCCCCCCC=C[N+](=O)[O-] CNP0493908.0 [0,1,0,0,0,0|1,0,2]=4 129 B17R0.43 CCCCCCCCCCCCCCCC(=O)C CNP0188334.0 [0,1,0,0,0,0|1,0,0]=2 130 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl CNP0198740.0 [0,1,0,0,0,0|1,0,0]=2 131 B17R0.43 CCCCCCCCCCCCCCCC(=O)N CNP0243925.0 [0,1,0,0,0,0|1,0,0]=2 132 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CNP0420987.0 [0,1,0,0,0,0|0,0,0]=1 133 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0495891.0 [0,1,0,0,0,0|0,0,1]=2 134 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0499278.0 [0,1,0,0,0,0|0,0,1]=2 135 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0554778.0 [0,1,0,0,0,0|0,0,1]=2 136 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0601923.0 [0,1,0,0,0,0|0,0,1]=2 137 B17R0.43 CCCCCCCCCCCCCCCC(C)C CNP0264011.0 [0,1,0,0,0,0|2,0,1]=4 138 B17R0.43 CCCCCCCCCCCCCCCC(C)O CNP0605434.0 [0,1,0,0,0,0|1,0,1]=3 139 B17R0.43 CCCCCCCCCCCCCCCC(O)O CNP0508737.0 [0,1,0,0,0,0|0,0,2]=3 140 B17R0.43 CCCCCCCCCCCCCCOC(=O)C CNP0192551.0 [0,1,0,0,0,0|1,0,0]=2 141 B17R0.43 COSCCCCCCCCCCCNC(=O)N CNP0323501.0 [0,1,0,0,0,0|3,0,0]=4 142 B17R0.43 O=C(O)CCCCCCCCCCCCCCO CNP0323800.0 [0,1,0,0,0,0|0,0,0]=1 143 B17R0.43 [2H]C(=O)CCCCCCCCCCCCCCC CNP0578199.0 [0,1,0,0,0,0|1,0,0]=2 144 B17R0.78 CCCCCCC[C@H](O)CC/C=C\CCC(=O)O CNP0186585.1 [0,1,0,0,0,0|0,0,2]=3 145 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)O CNP0495608.0 [0,1,0,0,0,0|0,0,1]=2 146 B17R0.116 CCCCCCCCCCCC[C@H](C)CC(=O)O CNP0018672.1 [0,1,0,0,0,0|0,0,0]=1 147 B17R0.116 CCCCCCCCCCCC[C@H](O)CC(=O)O CNP0107830.1 [0,1,0,0,0,0|0,0,0]=1 148 B17R0.170 CCCC[C@H](C)CCCCCCCCCC(=O)O CNP0168232.1 [0,1,0,0,0,0|0,0,0]=1 149 B17R0.170 CCCC[C@H](N)CCCCCCC/C=C/C(=O)O CNP0152052.1 [0,1,0,0,0,0|0,0,2]=3 150 B17R0.170 CCCC[C@H](O)CCCCCCC/C=C/C(=O)O CNP0255951.1 [0,1,0,0,0,0|0,0,2]=3 151 B17R0.170 CCCC[C@H](O)CCCCCCCCCC(=O)O CNP0243700.1 [0,1,0,0,0,0|0,0,0]=1 152 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C CNP0253197.0 [0,1,0,0,0,0|2,0,1]=4 153 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O CNP0001599.0 [0,1,0,0,0,0|1,0,1]=3 154 B17R0.195 CCCCCCC=CCCCCCCC(=O)OC CNP0367708.0 [0,1,0,0,0,0|0,0,2]=3 155 B17R0.195 CCCCCCCCCCCCCCC(=O)OC CNP0149579.0 [0,1,0,0,0,0|0,0,0]=1 156 B17R0.195 CCCCCCCCCCCCCCC(O)C=O CNP0083434.0 [0,1,0,0,0,0|0,0,1]=2 157 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CC CNP0284060.2 [0,1,0,0,0,0|1,0,1]=3 158 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO CNP0112696.1 [0,1,0,0,0,0|0,0,2]=3 159 B17R0.195 CCCCCCCCCCCCCC[C@H](C)CC CNP0486792.1 [0,1,0,0,0,0|2,0,1]=4 160 B17R0.195 CCCCCCCCCCCCCC[C@H](C)CO CNP0153530.1 [0,1,0,0,0,0|1,0,1]=3 161 B17R0.195 CCCCCCCCCCCCCC[C@H](O)CC CNP0284060.1 [0,1,0,0,0,0|1,0,1]=3 162 B17R0.195 CCCCCCCCCCCCOC[C@H](O)CO CNP0239233.1 [0,1,0,0,0,0|1,0,2]=4 163 B17R0.195 COC(=O)CCCCCCCCCCCCCO CNP0332818.0 [0,1,0,0,0,0|1,0,0]=2 164 B17R0.197 CCCCCCCCCCCCCCC(C)(C)C CNP0171735.0 [0,1,0,0,0,0|2,0,1]=4 165 B17R0.256 CCCC(C)CCCCCCCCCCC(=O)O CNP0366576.0 [0,1,0,0,0,0|0,0,0]=1 166 B17R0.256 CCC[C@H](O)CCCCCCCCCCC(=O)O CNP0567163.1 [0,1,0,0,0,0|0,0,0]=1 167 B17R0.1713 CC(=O)CCCCCCCC=CCCCC(C)C CNP0310266.0 [0,1,0,0,0,0|1,0,2]=4 168 B17R0.1713 CC(Br)CCCCCCCCCCCCC(=O)O CNP0076675.0 [0,1,0,0,0,0|0,0,0]=1 169 B17R0.1713 CC(C)CCCC=CCCCCCCCC(=O)O CNP0173044.0 [0,1,0,0,0,0|0,0,2]=3 170 B17R0.1713 CC(C)CCCCCCC=CCCCCC(=O)O CNP0394526.0 [0,1,0,0,0,0|0,0,2]=3 171 B17R0.1713 CC(C)CCCCCCCC=CCCCC(=O)O CNP0017632.0 [0,1,0,0,0,0|0,0,2]=3 172 B17R0.1713 CC(C)CCCCCCCCC=CCCC(=O)O CNP0306603.0 [0,1,0,0,0,0|0,0,2]=3 173 B17R0.1713 CC(C)CCCCCCCCCCC=CC(=O)O CNP0486257.0 [0,1,0,0,0,0|0,0,2]=3 174 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O CNP0340738.0 [0,1,0,0,0,0|0,0,0]=1 175 B17R0.1713 C[S@+]([O-])CCCCCCCCCCCNC(=O)N CNP0529716.1 [0,1,0,0,0,0|3,0,0]=4 176 B17R0.1713 C[S@H+]([O-])CCCCCCCCCCCNC(=O)N CNP0520191.1 [0,1,0,0,0,0|3,0,0]=4 177 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O CNP0288337.0 [0,1,0,0,0,0|1,0,1]=3 178 B17R0.8801 CCCCCCCCC[C@H](O)CCCCC(=O)O CNP0287679.1 [0,1,0,0,0,0|0,0,0]=1 179 B17R0.14245 CCCCCCCCCCCCCC(Br)C(=O)O CNP0085793.0 [0,1,0,0,0,0|0,0,0]=1 180 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)C CNP0561213.0 [0,1,0,0,0,0|1,0,0]=2 181 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)O CNP0333673.0 [0,1,0,0,0,0|0,0,0]=1 182 B17R0.14245 CCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0203568.2 [0,1,0,0,0,0|0,0,0]=1 183 B17R0.14245 CCCCCCCCCCCCC[C@H](O)C(=O)O CNP0203568.1 [0,1,0,0,0,0|0,0,0]=1 184 B17R0.14363 CC[C@@H](C)CCCCC/C=C\CCCCC(=O)O CNP0087213.1 [0,1,0,0,0,0|0,0,2]=3 185 B17R0.14363 CC[C@@H](C)CCCCCCCCCCCC(=O)O CNP0185348.2 [0,1,0,0,0,0|0,0,0]=1 186 B17R0.14363 CC[C@H](C)CCCCC/C=C\CCCCC(=O)O CNP0087213.2 [0,1,0,0,0,0|0,0,2]=3 187 B17R0.14363 CC[C@H](C)CCCCCCCCCCCC(=O)O CNP0185348.1 [0,1,0,0,0,0|0,0,0]=1 188 B17R0.14363 CC[C@H](O)CCCCCCCCCCCC(=O)O CNP0388837.1 [0,1,0,0,0,0|0,0,0]=1 189 B17R0.14363 O=C(O)CCCCCCCCCCNC(=O)CI CNP0522575.0 [0,1,0,0,0,0|2,0,1]=4 190 B17R1.9279 O=C(O)CCCCCCCCCC1CCCC1 CNP0595235.0 [0,0,0,1,0,0|0,0,0]=1 191 B17R1.11267 C[C@@H]1CCCCCCCCCCCCC(=O)C1 CNP0242080.1 [0,0,0,1,0,0|1,0,0]=2 192 B17R1.11267 C[C@@H]1CCCCCCCCCCCC[C@@H](C1)O CNP0323065.3 [0,0,0,1,0,0|1,0,1]=3 193 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)C1 CNP0242080.2 [0,0,0,1,0,0|1,0,0]=2 194 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)O1 CNP0117066.1 [0,0,0,1,0,0|0,0,0]=1 195 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(C1)O CNP0323065.1 [0,0,0,1,0,0|1,0,1]=3 196 B17R1.11267 C[C@H]1CCCCCCCCCCCC[C@@H](C1)O CNP0323065.2 [0,0,0,1,0,0|1,0,1]=3 197 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 CNP0332126.0 [0,0,0,1,0,0|0,0,0]=1 198 B17R1.11298 OC1CCCCCCCCCCCCCCC1 CNP0578812.0 [0,0,0,1,0,0|1,0,1]=3 199 B17R1.29093 CCCCCCCCCCCCCC[C@@H]1CO1 CNP0238829.1 [0,0,0,1,0,0|1,0,1]=3 200 B14R0.392 C#CCCCCCCCCCCCCC CNP0076909.0 [2,0,0,0,0,0|0,0,2]=4 201 B14R0.392 C=CCCCCCCCCCCCC=O CNP0321421.0 [2,0,0,0,0,0|0,0,2]=4 202 B14R0.392 C=CCCCCCCCCCCCCC CNP0103453.0 [2,0,0,0,0,0|0,0,1]=3 203 B14R0.392 CC=CCCCCCCCCCCCC CNP0134200.0 [2,0,0,0,0,0|1,0,1]=4 204 B14R0.392 CC=CCCCCCCCCCCCO CNP0292605.0 [2,0,0,0,0,0|0,0,2]=4 205 B14R0.392 CCC#CCCCCCCCCCCO CNP0520588.0 [2,0,0,0,0,0|0,0,2]=4 206 B14R0.392 CCC=CCCCCCCCCCC=O CNP0381172.0 [2,0,0,0,0,0|0,0,2]=4 207 B14R0.392 CCC=CCCCCCCCCCCO CNP0175758.0 [2,0,0,0,0,0|0,0,2]=4 208 B14R0.392 CCCC=CCCCCCCCCCO CNP0246964.0 [2,0,0,0,0,0|0,0,2]=4 209 B14R0.392 CCCCC=CCCCCCCCC=O CNP0270269.0 [2,0,0,0,0,0|0,0,2]=4 210 B14R0.392 CCCCC=CCCCCCCCCO CNP0209176.0 [2,0,0,0,0,0|0,0,2]=4 211 B14R0.392 CCCCCC=CCCCCCCCO CNP0168751.0 [2,0,0,0,0,0|0,0,2]=4 212 B14R0.392 CCCCCCC=CCCCCCC=O CNP0173800.0 [2,0,0,0,0,0|0,0,2]=4 213 B14R0.392 CCCCCCC=CCCCCCCO CNP0276887.0 [2,0,0,0,0,0|0,0,2]=4 214 B14R0.392 CCCCCCCC=CCCCCCO CNP0239348.0 [2,0,0,0,0,0|0,0,2]=4 215 B14R0.392 CCCCCCCCC=CCCCC=O CNP0381300.0 [2,0,0,0,0,0|0,0,2]=4 216 B14R0.392 CCCCCCCCC=CCCCCO CNP0222511.0 [2,0,0,0,0,0|0,0,2]=4 217 B14R0.392 CCCCCCCCCCC#CCCO CNP0573718.0 [2,0,0,0,0,0|0,0,2]=4 218 B14R0.392 CCCCCCCCCCC=CCCO CNP0306792.0 [2,0,0,0,0,0|0,0,2]=4 219 B14R0.392 CCCCCCCCCCCC=CC=O CNP0054792.0 [2,0,0,0,0,0|0,0,2]=4 220 B14R0.392 CCCCCCCCCCCC=CCO CNP0358958.0 [2,0,0,0,0,0|0,0,2]=4 221 B14R0.392 CCCCCCCCCCCCC#CO CNP0075343.0 [2,0,0,0,0,0|0,0,2]=4 222 B14R0.392 CCCCCCCCCCCCCC#N CNP0173573.0 [2,0,0,0,0,0|1,0,1]=4 223 B14R0.392 CCCCCCCCCCCCCC=O CNP0200880.0 [2,0,0,0,0,0|0,0,0]=2 224 B14R0.392 CCCCCCCCCCCCCCC CNP0314547.0 [2,0,0,0,0,0|0,0,1]=3 225 B14R0.392 CCCCCCCCCCCCCCCl CNP0509321.0 [2,0,0,0,0,0|1,0,0]=3 226 B14R0.392 CCCCCCCCCCCCCCI CNP0576364.0 [2,0,0,0,0,0|1,0,0]=3 227 B14R0.392 CCCCCCCCCCCCCCN CNP0079841.0 [2,0,0,0,0,0|1,0,0]=3 228 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [2,0,0,0,0,0|0,0,0]=2 229 B14R0.392 CCCCCCCCCCCCCC[11CH3] CNP0480041.0 [2,0,0,0,0,0|0,0,1]=3 230 B14R0.392 CCCCCCCCOCCCCCC CNP0511916.0 [2,0,0,0,0,0|1,0,1]=4 231 B14R0.392 O=CCCCCCCCCCCCC=O CNP0157180.0 [2,0,0,0,0,0|1,0,1]=4 232 B14R0.392 OCCCCCCCCCCCCCO CNP0197941.0 [2,0,0,0,0,0|1,0,0]=3 233 B14R0.394 CCCCCC=CCCCCCC(=O)O CNP0547535.0 [2,0,0,0,0,0|0,0,2]=4 234 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [2,0,0,0,0,0|0,0,2]=4 235 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [2,0,0,0,0,0|1,0,0]=3 236 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [2,0,0,0,0,0|1,0,0]=3 237 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [2,0,0,0,0,0|0,0,0]=2 238 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [2,0,0,0,0,0|1,0,1]=4 239 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [2,0,0,0,0,0|2,0,0]=4 240 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [2,0,0,0,0,0|1,0,0]=3 241 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [2,0,0,0,0,0|1,0,0]=3 242 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [2,0,0,0,0,0|1,0,0]=3 243 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [2,0,0,0,0,0|1,0,0]=3 244 B16R0.61 C=CCCCCCCCCCC[C@H](C)CCC CNP0080381.1 [1,1,0,0,0,0|1,0,0]=3 245 B16R0.61 CCCCCCCCCCCCC(O)CCC CNP0221367.0 [1,1,0,0,0,0|1,0,1]=4 246 B16R0.61 CCCCCCCCCCCC[C@H](C)CCC CNP0157313.1 [1,1,0,0,0,0|1,0,1]=4 247 B16R0.61 CCOC(=O)CCCCCCCCCCC=O CNP0602430.0 [1,1,0,0,0,0|1,0,1]=4 248 B16R0.68 CCCCCCCCCC[C@H](C)CCCCC CNP0145101.1 [1,1,0,0,0,0|1,0,1]=4 249 B16R0.221 CCCCCCCCCCCCC=C(Cl)C=O CNP0233432.0 [1,1,0,0,0,0|0,0,2]=4 250 B16R0.221 CCCCCCCCCCCCC[C@H](C)CC CNP0266860.1 [1,1,0,0,0,0|1,0,1]=4 251 B16R0.221 CCCCCCCCCCCCC[C@H](C)CO CNP0371129.1 [1,1,0,0,0,0|0,0,1]=3 252 B16R0.221 COC(=O)CCCCCCCCCCCC=O CNP0018335.0 [1,1,0,0,0,0|1,0,1]=4 253 B16R0.303 C=CC=CCCCCCCCCCCCCC CNP0526692.0 [1,1,0,0,0,0|1,0,1]=4 254 B16R0.303 C=CCCCCCC=CCCCCCCCC CNP0130742.0 [1,1,0,0,0,0|1,0,1]=4 255 B16R0.303 C=CCCCCCCCCCCCCCC=O CNP0204307.0 [1,1,0,0,0,0|0,0,1]=3 256 B16R0.303 C=CCCCCCCCCCCCCCCC CNP0172069.0 [1,1,0,0,0,0|1,0,0]=3 257 B16R0.303 CC=CCCCCCCCCCCCCC=O CNP0076113.0 [1,1,0,0,0,0|0,0,1]=3 258 B16R0.303 CCC=CCCCCCCCCCCCC=O CNP0152521.0 [1,1,0,0,0,0|0,0,1]=3 259 B16R0.303 CCC=CCCCCCCCCCCCCC CNP0237923.0 [1,1,0,0,0,0|1,0,1]=4 260 B16R0.303 CCCC=CCCCCCCCCCCC=O CNP0171749.0 [1,1,0,0,0,0|0,0,1]=3 261 B16R0.303 CCCCC=CCCCCCCCCCC=O CNP0207942.0 [1,1,0,0,0,0|0,0,1]=3 262 B16R0.303 CCCCC=CCCCCCCCCCCO CNP0183543.0 [1,1,0,0,0,0|0,0,2]=4 263 B16R0.303 CCCCC=CCCCCCCCCOC=O CNP0121515.0 [1,1,0,0,0,0|0,0,2]=4 264 B16R0.303 CCCCCC=CCCCCCCCOC=O CNP0111868.0 [1,1,0,0,0,0|0,0,2]=4 265 B16R0.303 CCCCCCC=CCCCCCCCC=O CNP0286908.0 [1,1,0,0,0,0|0,0,1]=3 266 B16R0.303 CCCCCCC=CCCCCCCCCO CNP0133161.0 [1,1,0,0,0,0|0,0,2]=4 267 B16R0.303 CCCCCCCCC=CCCCCCC=O CNP0487153.0 [1,1,0,0,0,0|0,0,1]=3 268 B16R0.303 CCCCCCCCC=CCCCCCCO CNP0136465.0 [1,1,0,0,0,0|0,0,2]=4 269 B16R0.303 CCCCCCCCCCCCCC=CC=O CNP0453411.0 [1,1,0,0,0,0|0,0,1]=3 270 B16R0.303 CCCCCCCCCCCCCC=CCO CNP0586462.0 [1,1,0,0,0,0|0,0,1]=3 271 B16R0.303 CCCCCCCCCCCCCCCC#N CNP0079880.0 [1,1,0,0,0,0|1,0,1]=4 272 B16R0.303 CCCCCCCCCCCCCCCC=O CNP0198736.0 [1,1,0,0,0,0|0,0,0]=2 273 B16R0.303 CCCCCCCCCCCCCCCCC CNP0342809.0 [1,1,0,0,0,0|1,0,1]=4 274 B16R0.303 CCCCCCCCCCCCCCCCI CNP0086206.0 [1,1,0,0,0,0|1,0,1]=4 275 B16R0.303 CCCCCCCCCCCCCCCCN CNP0611705.0 [1,1,0,0,0,0|1,0,1]=4 276 B16R0.303 CCCCCCCCCCCCCCCCO CNP0187598.0 [1,1,0,0,0,0|0,0,1]=3 277 B16R0.303 CCCCCCCCCCCCCCOC=O CNP0183171.0 [1,1,0,0,0,0|0,0,0]=2 278 B16R0.303 CCCCCCCCNCCCCCCCC CNP0081956.0 [1,1,0,0,0,0|1,0,1]=4 279 B16R0.303 CCCCCCCCOCCCCCCCC CNP0215186.0 [1,1,0,0,0,0|1,0,1]=4 280 B16R0.303 O=C=CCCCCCCCCCCCCCO CNP0157542.0 [1,1,0,0,0,0|1,0,0]=3 281 B16R0.6603 CCCCCCCCC[C@H](C)CCCCCC CNP0274515.1 [1,1,0,0,0,0|1,0,1]=4 282 B16R0.41 CCC[C@H](C)CCCCCCCCCC(=O)O CNP0018298.1 [1,1,0,0,0,0|0,0,0]=2 283 B16R0.41 CCC[C@H](O)CCCCCCCCCC(=O)O CNP0244528.1 [1,1,0,0,0,0|0,0,0]=2 284 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)O CNP0531578.0 [1,1,0,0,0,0|0,0,1]=3 285 B16R0.114 CCCCCCCC(O)CCCCCC(=O)O CNP0296318.0 [1,1,0,0,0,0|0,0,0]=2 286 B16R0.114 CCCCCCC[C@H](O)C/C=C/CCC(=O)O CNP0153280.1 [1,1,0,0,0,0|0,0,2]=4 287 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O CNP0106804.0 [1,1,0,0,0,0|0,0,0]=2 288 B16R0.165 CCC(C)CCCCCCC=CCCC(=O)O CNP0219477.0 [1,1,0,0,0,0|0,0,2]=4 289 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O CNP0162278.2 [1,1,0,0,0,0|0,0,0]=2 290 B16R0.165 CC[C@@H](C)CCCCCCCCCOC(=O)C CNP0202773.1 [1,1,0,0,0,0|2,0,0]=4 291 B16R0.165 CC[C@H](C)CCCCCCCCCCC(=O)O CNP0162278.1 [1,1,0,0,0,0|0,0,0]=2 292 B16R0.165 CC[C@H](C)CCCCCCCCCOC(=O)C CNP0202773.2 [1,1,0,0,0,0|2,0,0]=4 293 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O CNP0162114.0 [1,1,0,0,0,0|1,0,1]=4 294 B16R0.177 CCCCC=CC(C)CCCCCCC(=O)O CNP0333080.0 [1,1,0,0,0,0|0,0,2]=4 295 B16R0.224 CCCCCCCCCCCCC(=O)C(=O)O CNP0589314.0 [1,1,0,0,0,0|0,0,1]=3 296 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C CNP0496216.0 [1,1,0,0,0,0|1,0,0]=3 297 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O CNP0602347.0 [1,1,0,0,0,0|0,0,0]=2 298 B16R0.224 CCCCCCCCCCCC[C@@H](O)C(=O)O CNP0115920.2 [1,1,0,0,0,0|0,0,0]=2 299 B16R0.224 CCCCCCCCCCCC[C@H](O)C(=O)O CNP0115920.1 [1,1,0,0,0,0|0,0,0]=2 300 B16R0.297 CCCCCCCCCC(=CCCC(=O)O)C CNP0103835.0 [1,1,0,0,0,0|0,0,2]=4 301 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)O CNP0069770.0 [1,1,0,0,0,0|0,0,1]=3 302 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CNP0114637.1 [1,1,0,0,0,0|0,0,0]=2 303 B16R0.302 CCCCCCCCCCC[C@H](C)OC(=O)C CNP0269231.1 [1,1,0,0,0,0|2,0,0]=4 304 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)C CNP0427680.1 [1,1,0,0,0,0|1,0,0]=3 305 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)O CNP0114637.2 [1,1,0,0,0,0|0,0,0]=2 306 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0020932.0 [1,1,0,0,0,0|2,0,0]=4 307 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0515848.0 [1,1,0,0,0,0|2,0,0]=4 308 B16R0.1188 NCCCCCCCCCCCCP(=O)(O)O CNP0481879.0 [1,1,0,0,0,0|2,0,0]=4 309 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O CNP0241941.0 [1,1,0,0,0,0|0,0,1]=3 310 B16R0.1820 CCCCCCCC[C@H](O)CCCCC(=O)O CNP0378358.1 [1,1,0,0,0,0|0,0,0]=2 311 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O CNP0135234.0 [1,1,0,0,0,0|1,0,1]=4 312 B16R0.3288 CC(C)CCC=CCCCCCCCC(=O)O CNP0018737.0 [1,1,0,0,0,0|0,0,2]=4 313 B16R0.3288 CC(C)CCCCC=CCCCCCC(=O)O CNP0017541.0 [1,1,0,0,0,0|0,0,2]=4 314 B16R0.3288 CC(C)CCCCCCCC=CCCC(=O)O CNP0018516.0 [1,1,0,0,0,0|0,0,2]=4 315 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)N CNP0072512.0 [1,1,0,0,0,0|1,0,0]=3 316 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O CNP0240509.0 [1,1,0,0,0,0|0,0,0]=2 317 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O CNP0081935.0 [1,1,0,0,0,0|0,0,0]=2 318 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O CNP0346637.0 [1,1,0,0,0,0|1,0,1]=4 319 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)O CNP0017694.0 [0,2,0,0,0,0|0,0,0]=2 320 B18R0.233 CCCCCCCCCCC[C@H](O)/C=C/CC(=O)C CNP0439642.1 [0,2,0,0,0,0|1,0,1]=4 321 B18R0.17427 CCCCCCCCCCC(=O)CCCC(=O)OC CNP0289522.0 [0,2,0,0,0,0|0,0,1]=3 322 B18R0.2 CCCC[C@H](C)CCCCCCCCCCC(=O)O CNP0178409.1 [0,2,0,0,0,0|0,0,0]=2 323 B18R0.2 CCCC[C@H](O)CCCCCCCCCCC(=O)O CNP0264537.1 [0,2,0,0,0,0|0,0,0]=2 324 B18R0.94 CCCCCCCCC(=O)CCCCCCC(=O)O CNP0275063.0 [0,2,0,0,0,0|0,0,0]=2 325 B18R0.94 CCCCCCCC[C@@H](O)CCCCCCC(=O)O CNP0257196.2 [0,2,0,0,0,0|0,0,0]=2 326 B18R0.94 CCCCCCCC[C@H](O)CCCCCCC(=O)O CNP0257196.1 [0,2,0,0,0,0|0,0,0]=2 327 B18R0.114 CCC(C)CCCCCCCCCCCCC(=O)N CNP0072513.0 [0,2,0,0,0,0|1,0,0]=3 328 B18R0.114 CC[C@@H](C)CCCCCCCCCCCCC(=O)O CNP0226259.2 [0,2,0,0,0,0|0,0,0]=2 329 B18R0.114 CC[C@@H](O)CCCCCCCCCCCCC(=O)O CNP0198971.1 [0,2,0,0,0,0|0,0,0]=2 330 B18R0.114 CC[C@H](C)CCC/C=C/CCCCCCCC(=O)O CNP0278415.1 [0,2,0,0,0,0|0,0,1]=3 331 B18R0.114 CC[C@H](C)CCC/C=C\CCCCCCCC(=O)O CNP0278415.2 [0,2,0,0,0,0|0,0,1]=3 332 B18R0.114 CC[C@H](C)CCCC/C=C/CCCCCCC(=O)O CNP0018637.1 [0,2,0,0,0,0|0,0,1]=3 333 B18R0.114 CC[C@H](C)CCCCCC/C=C/CCCCC(=O)O CNP0036509.1 [0,2,0,0,0,0|0,0,1]=3 334 B18R0.114 CC[C@H](C)CCCCCCCCCCCCC(=O)O CNP0226259.1 [0,2,0,0,0,0|0,0,0]=2 335 B18R0.114 CC[C@H](C)CCCCCCCCCCCOC(=O)C CNP0249510.1 [0,2,0,0,0,0|1,0,0]=3 336 B18R0.114 COC(=O)CCCCCCCCCCCCC(C)C CNP0185488.0 [0,2,0,0,0,0|0,0,0]=2 337 B18R0.114 C[C@H](C=O)CCCCCCCCCC/C=C/C(=O)O CNP0327733.1 [0,2,0,0,0,0|0,0,2]=4 338 B18R0.127 CCCCCCC(=O)CCCCCCCCC(=O)C CNP0277669.0 [0,2,0,0,0,0|1,0,0]=3 339 B18R0.127 CCCCCCC(=O)CCCCCCCCC(=O)O CNP0421828.0 [0,2,0,0,0,0|0,0,0]=2 340 B18R0.127 CCCCCC[C@@H](C)CCCCCCCCC(=O)O CNP0270519.2 [0,2,0,0,0,0|0,0,0]=2 341 B18R0.127 CCCCCC[C@H](C)CC/C=C/CCCCC(=O)O CNP0018322.1 [0,2,0,0,0,0|0,0,1]=3 342 B18R0.127 CCCCCC[C@H](C)CCCCCCCCC(=O)O CNP0270519.1 [0,2,0,0,0,0|0,0,0]=2 343 B18R0.127 CCCCCC[C@H](O)/C=C/CCCCCCC(=O)O CNP0202361.1 [0,2,0,0,0,0|0,0,1]=3 344 B18R0.127 CCCCCC[C@H](O)CCCCCCCCC(=O)O CNP0409239.1 [0,2,0,0,0,0|0,0,0]=2 345 B18R0.171 CCCCC=CCCCCCCCCCC(=O)OC CNP0533245.0 [0,2,0,0,0,0|0,0,1]=3 346 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC CNP0246101.0 [0,2,0,0,0,0|0,0,1]=3 347 B18R0.171 CCCCCCCCC#CCCCCCC(=O)OC CNP0179582.0 [0,2,0,0,0,0|0,0,1]=3 348 B18R0.171 CCCCCCCCC=CCCCCCC(=O)OC CNP0268358.0 [0,2,0,0,0,0|0,0,1]=3 349 B18R0.171 CCCCCCCCCCCCCC=CC(=O)OC CNP0600387.0 [0,2,0,0,0,0|0,0,1]=3 350 B18R0.171 CCCCCCCCCCCCCCCC(=O)CC CNP0555630.0 [0,2,0,0,0,0|1,0,0]=3 351 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC CNP0177929.0 [0,2,0,0,0,0|1,0,0]=3 352 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC CNP0274232.0 [0,2,0,0,0,0|0,0,0]=2 353 B18R0.171 CCCCCCCCCCCCCCC[14C](=O)OC CNP0506860.0 [0,2,0,0,0,0|0,0,0]=2 354 B18R0.171 CCCCCCCCCCCCCCC[C@@H](O)CC CNP0356214.1 [0,2,0,0,0,0|1,0,1]=4 355 B18R0.171 CCCCCCCCCCCCCCC[C@@H](O)CN CNP0275256.1 [0,2,0,0,0,0|1,0,1]=4 356 B18R0.171 CCCCCCCCCCCCCCC[C@H](C)CO CNP0311251.1 [0,2,0,0,0,0|1,0,1]=4 357 B18R0.171 CCCCCCCCCCCCCC[C+]=C([O-])OC CNP0547174.0 [0,2,0,0,0,0|0,0,1]=3 358 B18R0.171 CCCCCCCCCCCCCC[C]C(=O)OC CNP0538565.0 [0,2,0,0,0,0|0,0,0]=2 359 B18R0.171 CCCCCCCCCCCCCOC[C@@H](O)CO CNP0182348.1 [0,2,0,0,0,0|0,0,2]=4 360 B18R0.171 COC(=O)CCCCCCCCCCCCCCO CNP0262301.0 [0,2,0,0,0,0|0,0,0]=2 361 B18R0.174 CCCCCCCCCCCCCCC(=O)C(=O)O CNP0287283.0 [0,2,0,0,0,0|0,0,0]=2 362 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)C CNP0078684.0 [0,2,0,0,0,0|1,0,0]=3 363 B18R0.174 CCCCCCCCCCCCCCC(Cl)C(=O)O CNP0118326.0 [0,2,0,0,0,0|0,0,0]=2 364 B18R0.174 CCCCCCCCCCCCCC[C@@H](C)C(=O)O CNP0261729.1 [0,2,0,0,0,0|0,0,0]=2 365 B18R0.174 CCCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0239003.1 [0,2,0,0,0,0|0,0,0]=2 366 B18R0.174 CCCCCCCCCCCCCC[C@H](O)C(=O)O CNP0239003.2 [0,2,0,0,0,0|0,0,0]=2 367 B18R0.176 C#CCCCCCCCCCCCCCCC(=O)O CNP0536251.0 [0,2,0,0,0,0|0,0,0]=2 368 B18R0.176 C=CCCC#CCCCCCCCCCCC(=O)O CNP0102926.0 [0,2,0,0,0,0|0,0,2]=4 369 B18R0.176 CC=CCC#CCCCCCCCCCCC(=O)O CNP0076553.0 [0,2,0,0,0,0|0,0,2]=4 370 B18R0.176 CCC=CCCCCCCCCCCCOC(=O)C CNP0319045.0 [0,2,0,0,0,0|1,0,1]=4 371 B18R0.176 CCCCC=CCCCCCCCCCOC(=O)C CNP0198464.0 [0,2,0,0,0,0|1,0,1]=4 372 B18R0.176 CCCCCC=CCC=CCCCCCCC(=O)O CNP0129695.0 [0,2,0,0,0,0|0,0,2]=4 373 B18R0.176 CCCCCC=CCCCCCCCCCC(=O)O CNP0237400.0 [0,2,0,0,0,0|0,0,0]=2 374 B18R0.176 CCCCCC=CCCCCCCCCOC(=O)C CNP0155453.0 [0,2,0,0,0,0|1,0,1]=4 375 B18R0.176 CCCCCCC=CC#CCCCCCCC(=O)O CNP0165307.0 [0,2,0,0,0,0|0,0,2]=4 376 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O CNP0150109.0 [0,2,0,0,0,0|0,0,0]=2 377 B18R0.176 CCCCCCCC=CCC=CCCCCC(=O)O CNP0176359.0 [0,2,0,0,0,0|0,0,2]=4 378 B18R0.176 CCCCCCCC=CCCCCCCCC(=O)O CNP0307035.0 [0,2,0,0,0,0|0,0,0]=2 379 B18R0.176 CCCCCCCCC=CCCCCCCC(=O)O CNP0157355.0 [0,2,0,0,0,0|0,0,0]=2 380 B18R0.176 CCCCCCCCCC=CCCCCCC(=O)O CNP0206388.0 [0,2,0,0,0,0|0,0,0]=2 381 B18R0.176 CCCCCCCCCCC#CCCCCC(=O)O CNP0287570.0 [0,2,0,0,0,0|0,0,0]=2 382 B18R0.176 CCCCCCCCCCC=CCCCCC(=O)O CNP0377127.0 [0,2,0,0,0,0|0,0,0]=2 383 B18R0.176 CCCCCCCCCCCC=CCCCC(=O)O CNP0370696.0 [0,2,0,0,0,0|0,0,0]=2 384 B18R0.176 CCCCCCCCCCCCC=CC=CC(=O)O CNP0373706.0 [0,2,0,0,0,0|0,0,2]=4 385 B18R0.176 CCCCCCCCCCCCC=CCCC(=O)O CNP0190086.0 [0,2,0,0,0,0|0,0,0]=2 386 B18R0.176 CCCCCCCCCCCCCCC=CC(=O)C CNP0524910.0 [0,2,0,0,0,0|1,0,0]=3 387 B18R0.176 CCCCCCCCCCCCCCC=CC(=O)O CNP0076691.0 [0,2,0,0,0,0|0,0,0]=2 388 B18R0.176 CCCCCCCCCCCCCCCCC(=O)C CNP0296335.0 [0,2,0,0,0,0|1,0,0]=3 389 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N CNP0176457.0 [0,2,0,0,0,0|1,0,0]=3 390 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O CNP0215617.0 [0,2,0,0,0,0|0,0,0]=2 391 B18R0.176 CCCCCCCCCCCCCCCC[11C](=O)O CNP0486039.0 [0,2,0,0,0,0|0,0,0]=2 392 B18R0.176 CCCCCCCCCCCCCCCC[C@H](C)O CNP0200264.1 [0,2,0,0,0,0|1,0,1]=4 393 B18R0.176 O=C(O)CCCCCC=CCCCCCCCCO CNP0407336.0 [0,2,0,0,0,0|0,0,1]=3 394 B18R0.176 O=C(O)CCCCCCCC=CCCCCCCO CNP0277312.0 [0,2,0,0,0,0|0,0,1]=3 395 B18R0.176 O=C(O)CCCCCCCCCCCC=CCCO CNP0181497.0 [0,2,0,0,0,0|0,0,1]=3 396 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr CNP0050016.0 [0,2,0,0,0,0|0,0,0]=2 397 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO CNP0148323.0 [0,2,0,0,0,0|0,0,0]=2 398 B18R0.176 O=CCCCCCCCCCCCCCCC(=O)O CNP0081853.0 [0,2,0,0,0,0|0,0,0]=2 399 B18R0.182 CCCCCCCCCCCCCCC[As](=O)(C)C CNP0124027.0 [0,2,0,0,0,0|2,0,0]=4 400 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)C CNP0171384.0 [0,2,0,0,0,0|1,0,0]=3 401 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)O CNP0040092.0 [0,2,0,0,0,0|0,0,0]=2 402 B18R0.220 CCCCCCCCCCCCC[C@@H](O)CC(=O)O CNP0147037.1 [0,2,0,0,0,0|0,0,0]=2 403 B18R0.220 CCCCCCCCCCCCC[C@H](C)CC(=O)O CNP0017899.1 [0,2,0,0,0,0|0,0,0]=2 404 B18R0.220 CCCCCCCCCCCCC[C@H](O)CC(=O)O CNP0147037.2 [0,2,0,0,0,0|0,0,0]=2 405 B18R0.974 CC(=O)NCCCCCCCCCCCCC(C)C CNP0588871.0 [0,2,0,0,0,0|1,0,0]=3 406 B18R0.974 CC(C)CCC=CCCCCCCCCCC(=O)O CNP0017674.0 [0,2,0,0,0,0|0,0,1]=3 407 B18R0.974 CC(C)CCCCC=CCCCCCCCC(=O)O CNP0285535.0 [0,2,0,0,0,0|0,0,1]=3 408 B18R0.974 CC(C)CCCCCCC=CCCCCCC(=O)O CNP0018330.0 [0,2,0,0,0,0|0,0,1]=3 409 B18R0.974 CC(C)CCCCCCCC=CCCCCC(=O)O CNP0018475.0 [0,2,0,0,0,0|0,0,1]=3 410 B18R0.974 CC(C)CCCCCCCCC=CCCCC(=O)O CNP0138348.0 [0,2,0,0,0,0|0,0,1]=3 411 B18R0.974 CC(C)CCCCCCCCCC=CCCC(=O)O CNP0251502.0 [0,2,0,0,0,0|0,0,1]=3 412 B18R0.974 CC(C)CCCCCCCCCCCCCC(=O)O CNP0319313.0 [0,2,0,0,0,0|0,0,0]=2 413 B18R0.974 C[C@H](O)CCCCCCCCCCCCCC(=O)O CNP0332103.1 [0,2,0,0,0,0|0,0,0]=2 414 B18R0.974 O=C(O)CCCCCCCCCCCCCC(=O)O CNP0367985.0 [0,2,0,0,0,0|0,0,1]=3 415 B18R0.3137 CCCCCC(=O)CCCCCCCCCC(=O)O CNP0252269.0 [0,2,0,0,0,0|0,0,0]=2 416 B18R0.3137 CCCCC[C@@H](O)/C=C\CCCCCCCC(=O)O CNP0389738.1 [0,2,0,0,0,0|0,0,1]=3 417 B18R0.3137 CCCCC[C@@H](O)CCCCCCCCCC(=O)O CNP0226671.2 [0,2,0,0,0,0|0,0,0]=2 418 B18R0.3137 CCCCC[C@H](C)CCCCCCCCCC(=O)O CNP0253033.1 [0,2,0,0,0,0|0,0,0]=2 419 B18R0.3137 CCCCC[C@H](O)CCCCCCCCCC(=O)O CNP0226671.1 [0,2,0,0,0,0|0,0,0]=2 420 B18R0.7250 CCCC/C=C/C[C@@H](C)CCCCCCCC(=O)O CNP0239349.1 [0,2,0,0,0,0|0,0,1]=3 421 B18R0.7250 CCCCC/C=C/[C@@H](C)CCCCCCCC(=O)O CNP0351829.1 [0,2,0,0,0,0|0,0,1]=3 422 B18R0.7250 CCCCCC=CC(=O)CCCCCCCC(=O)O CNP0182071.0 [0,2,0,0,0,0|0,0,2]=4 423 B18R0.7250 CCCCCC=CC(O)CCCCCCCC(=O)O CNP0542415.0 [0,2,0,0,0,0|0,0,1]=3 424 B18R0.7250 CCCCCCCC(=O)C=CCCCCCC(=O)O CNP0302806.0 [0,2,0,0,0,0|0,0,2]=4 425 B18R0.7250 CCCCCCCC(=O)CCCCCCCC(=O)O CNP0311471.0 [0,2,0,0,0,0|0,0,0]=2 426 B18R0.7250 CCCCCCC[C@H](C)CCCCCCCC(=O)O CNP0382559.1 [0,2,0,0,0,0|0,0,0]=2 427 B18R0.7250 CCCCCCC[C@H](O)/C=C/CCCCCC(=O)O CNP0191645.1 [0,2,0,0,0,0|0,0,1]=3 428 B18R0.7250 CCCCCCC[C@H](O)CCCCCCCC(=O)O CNP0267290.1 [0,2,0,0,0,0|0,0,0]=2 429 B18R0.11628 CCCCCCC/C=C/[C@@H](C)CCCCCC(=O)O CNP0146158.1 [0,2,0,0,0,0|0,0,1]=3 430 B18R0.11628 CCCCCCCCC=C(C)CCCCCC(=O)O CNP0148039.0 [0,2,0,0,0,0|0,0,1]=3 431 B18R0.11628 CCCCCCCCCC(=CCCCCC(=O)O)C CNP0277950.0 [0,2,0,0,0,0|0,0,1]=3 432 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)O CNP0177032.0 [0,2,0,0,0,0|0,0,0]=2 433 B18R0.11628 CCCCCCCCC[C@H](C)CCCCCC(=O)O CNP0017808.1 [0,2,0,0,0,0|0,0,0]=2 434 B18R0.11628 CCCCCCCCC[C@H](O)CCCCCC(=O)O CNP0259180.1 [0,2,0,0,0,0|0,0,0]=2 435 B18R0.19183 CCCCCCCCCCCCC(=O)C=CC(=O)O CNP0153565.0 [0,2,0,0,0,0|0,0,2]=4 436 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(=O)O CNP0214228.0 [0,2,0,0,0,0|0,0,0]=2 437 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(=O)O CNP0067551.0 [0,2,0,0,0,0|0,0,1]=3 438 B18R0.19183 CCCCCCCCCCCC[C@@H](C)CCC(=O)O CNP0321715.2 [0,2,0,0,0,0|0,0,0]=2 439 B18R0.19183 CCCCCCCCCCCC[C@H](C)CCC(=O)O CNP0321715.1 [0,2,0,0,0,0|0,0,0]=2 440 B18R0.19354 CCC[C@H](C)CCCCCCCCCCCC(=O)O CNP0018744.1 [0,2,0,0,0,0|0,0,0]=2 441 B18R0.19339 CCCCCCCC(=O)NCCCCC(N)C(=O)O CNP0001908.0 [0,2,0,0,0,0|1,0,1]=4 442 B18R0.29 CCC[C@H](O)CCCCCCCC[C@H](O)CC(=O)O CNP0275383.1 [0,2,0,0,0,0|0,0,0]=2 443 B18R0.175 CCCCCCCCCCCC[C@H](C)CC(=O)OC CNP0373513.1 [0,2,0,0,0,0|0,0,0]=2 444 B18R0.3148 CC(C)CCCCCCCCCC[C@@H](O)CC(=O)O CNP0485338.1 [0,2,0,0,0,0|0,0,0]=2 445 B18R0.3148 CC(CCCCCCCCCCC(=O)O)CC(=O)O CNP0501041.0 [0,2,0,0,0,0|1,0,1]=4 446 B18R0.3148 O=C(O)CCCCCCCCCCC(O)CC(=O)O CNP0240170.0 [0,2,0,0,0,0|1,0,1]=4 447 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(=O)O CNP0155610.0 [0,2,0,0,0,0|1,0,1]=4 448 B18R0.6543 CCCCCCCCCCCC(O)C(C)NC(=O)C CNP0596828.0 [0,2,0,0,0,0|2,0,0]=4 449 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] CNP0557967.0 [0,2,0,0,0,0|1,0,1]=4 450 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] CNP0576958.0 [0,2,0,0,0,0|1,0,1]=4 451 B18R0.6464 CCCCCCC(CCCCCCCC(=O)O)OC CNP0464499.0 [0,2,0,0,0,0|0,0,0]=2 452 B18R0.186 CCCCCCCCCCCC(=O)C[C@@H](C)C(=O)O CNP0294262.1 [0,2,0,0,0,0|0,0,1]=3 453 B18R0.1442 CCC[C@H](O)CCCCCCC[C@H](O)CCC(=O)O CNP0392025.1 [0,2,0,0,0,0|0,0,0]=2 454 B18R0.7795 CCCCCCCCCCCC(=O)CCC(=O)OC CNP0154558.0 [0,2,0,0,0,0|0,0,1]=3 455 B18R0.7795 CCCCCCCCCCC[C@@H](C)CCC(=O)OC CNP0076561.1 [0,2,0,0,0,0|0,0,0]=2 456 B18R0.110 CCC=C(C)CCCCCCCCCCCCCC CNP0198344.0 [0,2,0,0,0,0|2,0,0]=4 457 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC CNP0185766.0 [0,2,0,0,0,0|0,0,0]=2 458 B18R0.110 CCCCCCCCCCCCCOC(=O)COC CNP0609675.0 [0,2,0,0,0,0|1,0,0]=3 459 B18R0.189 CCCCCCCCCCCCCC(O)C(N)CO CNP0047169.0 [0,2,0,0,0,0|1,0,1]=4 460 B18R0.189 CCCCCCCCCCCCC[C@@H](C)C(=O)OC CNP0107617.1 [0,2,0,0,0,0|0,0,0]=2 461 B18R0.15765 CC[C@@H](C)CCCCCCCCCCCC(=O)OC CNP0412376.2 [0,2,0,0,0,0|0,0,0]=2 462 B18R0.15765 CC[C@H](C)CCCCCCCCCCCC(=O)OC CNP0412376.1 [0,2,0,0,0,0|0,0,0]=2 463 B18R0.15765 CC[C@H](C)CCCCCCCCCCC[C@H](O)CO CNP0237887.1 [0,2,0,0,0,0|0,0,2]=4 464 B18R0.15765 COC(=O)CCCCCCCCCCCC(=O)OC CNP0144654.0 [0,2,0,0,0,0|1,0,1]=4 465 B18R0.6329 C[As](=O)(C)CCCCCCCCCCCCC(=O)O CNP0308663.0 [0,2,0,0,0,0|1,0,0]=3 466 B18R0.942 CC(C)CCCCCCCCCCC[C@@H](O)C(=O)O CNP0275062.1 [0,2,0,0,0,0|0,0,0]=2 467 B18R0.3150 CCCCCCCCC=CCCCC(OC)C(=O)O CNP0429905.0 [0,2,0,0,0,0|0,0,2]=4 468 B18R0.3150 CCCCCCCCCCCCC[C@H](OC)C(=O)O CNP0424391.1 [0,2,0,0,0,0|0,0,0]=2 469 B16R1.402 C[C@H]1CCCCCCCCCCCOC1=O CNP0258710.1 [1,0,0,1,0,0|1,0,0]=3 470 B16R1.402 O=C1CCCCCCCCCCCCC1=O CNP0584718.0 [1,0,0,1,0,0|1,0,1]=4 471 B16R1.643 CCCCCCCCCCC1CCCCC1 CNP0348747.0 [1,0,0,1,0,0|1,0,1]=4 472 B16R1.662 CCCCCCCCN1CCCCCC1=O CNP0047392.0 [1,0,0,1,0,0|1,0,0]=3 473 B16R1.1193 CCCCCCCCCCCC1CCCC1 CNP0550028.0 [1,0,0,1,0,0|1,0,1]=4 474 B16R1.1193 CCCCCCCCCCCC1CCCS1 CNP0032675.0 [1,0,0,1,0,0|0,1,1]=4 475 B16R1.1218 CCCCCCCCCC1CCCOC1=O CNP0002797.0 [1,0,0,1,0,0|1,0,0]=3 476 B16R1.2908 C1CCCCCCCCCCCCCCC1 CNP0299890.0 [1,0,0,1,0,0|1,0,1]=4 477 B16R1.6680 CCCCCCCCCCN1CCCC1=O CNP0534295.0 [1,0,0,1,0,0|1,0,0]=3 478 B16R1.8816 O=C1CCCC=CCCCCCCCCC1 CNP0316245.0 [1,0,0,1,0,0|0,0,2]=4 479 B16R1.8816 O=C1CCCCCCCCCCCCCC1 CNP0222423.0 [1,0,0,1,0,0|0,0,0]=2 480 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [1,0,0,1,0,0|1,0,0]=3 481 B16R1.8816 O=C1CCCCCCCCCCOCCO1 CNP0127605.0 [1,0,0,1,0,0|2,0,0]=4 482 B16R1.8816 OC1CCCCCCCCCCCCCC1 CNP0139630.0 [1,0,0,1,0,0|0,0,1]=3 483 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 CNP0142097.0 [1,0,0,1,0,0|0,0,0]=2 484 B16R1.27 CCCCCCCCC[C@@H]1CC=CC(=O)O1 CNP0272113.1 [1,0,0,1,0,0|0,0,2]=4 485 B16R1.642 CCCCCCCC/C=C\[C@H]1CCC(=O)O1 CNP0271665.1 [1,0,0,1,0,0|0,0,2]=4 486 B16R1.642 CCCCCCCCCC[C@@H]1CCC(=O)O1 CNP0302354.1 [1,0,0,1,0,0|0,0,0]=2 487 B16R1.1275 O=C(O)CCCCCCCC[C@@H]1C=CCC1 CNP0355956.2 [1,0,0,1,0,0|0,0,2]=4 488 B16R1.1275 O=C(O)CCCCCCCC[C@H]1C=CCC1 CNP0355956.1 [1,0,0,1,0,0|0,0,2]=4 489 B16R1.8780 CC1CCCCCCCCCCCC(=O)C1 CNP0086318.0 [1,0,0,1,0,0|1,0,0]=3 490 B16R1.8780 C[C@@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.1 [1,0,0,1,0,0|0,0,2]=4 491 B16R1.8780 C[C@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.2 [1,0,0,1,0,0|0,0,2]=4 492 B16R1.8780 C[C@H]1CCCCCCCCCCCC(=O)O1 CNP0261950.1 [1,0,0,1,0,0|0,0,0]=2 493 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 CNP0299537.0 [1,0,0,1,0,0|1,0,0]=3 494 B18R1.1108 CCCCCCCCCCC[C@@H]1CCCC(=O)O1 CNP0270112.2 [0,1,0,1,0,0|0,0,0]=2 495 B18R1.1108 CCCCCCCCCCC[C@H]1CCCC(=O)O1 CNP0270112.1 [0,1,0,1,0,0|0,0,0]=2 496 B18R1.1260 CCCCCCCCCCCC[C@@H]1C=CC(=O)O1 CNP0060367.2 [0,1,0,1,0,0|0,0,1]=3 497 B18R1.1260 CCCCCCCCCCCC[C@@H]1CCC(=O)O1 CNP0109738.2 [0,1,0,1,0,0|0,0,0]=2 498 B18R1.1260 CCCCCCCCCCCC[C@H]1C=CC(=O)O1 CNP0060367.1 [0,1,0,1,0,0|0,0,1]=3 499 B18R1.1260 CCCCCCCCCCCC[C@H]1CCC(=O)O1 CNP0109738.1 [0,1,0,1,0,0|0,0,0]=2 500 B18R1.9535 CCCCCC[C@H]1C[C@@H]1CCCCCCC(=O)O CNP0435243.1 [0,1,0,1,0,0|0,0,0]=2 501 B18R1.13791 O=C1CCCCC=CCCCCCCCCCO1 CNP0002770.0 [0,1,0,1,0,0|0,0,1]=3 502 B18R1.13791 O=C1CCCCCC=CCCCCCCCCO1 CNP0276843.0 [0,1,0,1,0,0|0,0,1]=3 503 B18R1.13791 O=C1CCCCCCCC=CCCCCCCC1 CNP0239190.0 [0,1,0,1,0,0|1,0,1]=4 504 B18R1.13791 O=C1CCCCCCCCCCCCCCCC1 CNP0350525.0 [0,1,0,1,0,0|1,0,0]=3 505 B18R1.13791 O=C1CCCCCCCCCCCCCCCO1 CNP0181076.0 [0,1,0,1,0,0|0,0,0]=2 506 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 CNP0338886.0 [0,1,0,1,0,0|0,0,0]=2 507 B18R1.13791 O=C1CCCCCCCCCOCCCCCO1 CNP0363157.0 [0,1,0,1,0,0|0,0,0]=2 508 B18R1.13791 OC1CCCCCCCCCCCCCCCC1 CNP0324879.0 [0,1,0,1,0,0|1,0,1]=4 509 B18R1.14032 C[C@@H]1CCCCCCCCCCCCCC(=O)O1 CNP0420203.1 [0,1,0,1,0,0|0,0,0]=2 510 B18R1.20697 CC(=O)CCCCCCCCCCC1C=CCC1 CNP0039968.0 [0,1,0,1,0,0|1,0,1]=4 511 B18R1.20697 O=C(O)CCCCCCCCCCC1CCCC1 CNP0209075.0 [0,1,0,1,0,0|0,0,0]=2 512 B18R1.20697 O=C(O)CCCCCCCCCC[C@@H]1C=CCC1 CNP0252888.2 [0,1,0,1,0,0|0,0,1]=3 513 B18R1.20697 O=C(O)CCCCCCCCCC[C@@H]1CCCO1 CNP0416771.1 [0,1,0,1,0,0|0,0,0]=2 514 B18R1.20697 O=C(O)CCCCCCCCCC[C@H]1C=CCC1 CNP0252888.1 [0,1,0,1,0,0|0,0,1]=3 515 B18R1.20697 O=C(O)CCCCCCCCCC[C@H]1CCCO1 CNP0416771.2 [0,1,0,1,0,0|0,0,0]=2 516 B18R1.40541 CCCCCCCCCC[C@H]1CCCCC(=O)O1 CNP0138261.1 [0,1,0,1,0,0|0,0,0]=2 517 B18R1.175218 O=C(O)CCCCCCCCC1CCCCCC1 CNP0195419.0 [0,1,0,1,0,0|0,0,0]=2 518 B18R1.156483 O=C1CCCCCCCCC(=O)OCCCCO1 CNP0216401.0 [0,1,0,1,0,0|1,0,1]=4 519 B18R1.34998 CCCCCCCCCCCC1OC(=O)NC1C CNP0518100.0 [0,1,0,1,0,0|1,0,0]=3 520 B18R1.17480 C[C@@H]1CCCCCCCCCCCCC(=O)OC1 CNP0156024.1 [0,1,0,1,0,0|0,0,0]=2 521 B18R1.1843 C[C@@H]1CCCCCCCCCCCCCOC1=O CNP0362475.1 [0,1,0,1,0,0|0,0,0]=2 522 B18R1.1843 C[C@H]1CCCCCCCCCCCCCOC1=O CNP0362475.2 [0,1,0,1,0,0|0,0,0]=2 523 B18R1.101472 O=C1CCCCCCCCCCC(=O)OCCC1 CNP0363686.0 [0,1,0,1,0,0|0,0,1]=3 524 B18R1.101472 O=C1CCCCCCCCCC[C@@H](CCCO1)O CNP0385052.2 [0,1,0,1,0,0|0,0,0]=2 525 B18R1.101472 O=C1CCCCCCCCCC[C@H](CCCO1)O CNP0385052.1 [0,1,0,1,0,0|0,0,0]=2 526 B18R1.36897 CC(C)CCC[C@H]1C[C@@H]1CCCCCCC(=O)O CNP0436088.1 [0,1,0,1,0,0|0,0,0]=2 527 B18R2.122014 CCCCCCCCCC[C@@H]1OC(=O)[C@@H]2[C@H]1O2 CNP0232378.1 [0,0,0,2,0,0|1,0,0]=3 528 B18R2.122014 CCCCCCCCCC[C@H]1OC(=O)[C@@H]2[C@H]1O2 CNP0232378.2 [0,0,0,2,0,0|1,0,0]=3 529 B18R2.556536 O=C(O)CCSC[C@@H]1CCCN2[C@@H]1CCCC2 CNP0414664.1 [0,0,0,2,0,0|2,0,0]=4