0 B14R0.392 C#CCCCCCCCCCCCCC CNP0076909.0 [0,0,0,0,0,0|1,0,1]=2 1 B14R0.392 C=CC=CCCCCCCCCCC=O CNP0306588.0 [0,0,0,0,0,0|0,0,4]=4 2 B14R0.392 C=CC=CCCCCCCCCCCC CNP0497045.0 [0,0,0,0,0,0|1,0,2]=3 3 B14R0.392 C=CCCCC=CCCCCCCCC CNP0286885.0 [0,0,0,0,0,0|1,0,2]=3 4 B14R0.392 C=CCCCCCC=CCCCCCC CNP0273619.0 [0,0,0,0,0,0|1,0,2]=3 5 B14R0.392 C=CCCCCCCC=CCCCCO CNP0130050.0 [0,0,0,0,0,0|2,0,2]=4 6 B14R0.392 C=CCCCCCCCCCCCC=O CNP0321421.0 [0,0,0,0,0,0|0,0,2]=2 7 B14R0.392 C=CCCCCCCCCCCCCC CNP0103453.0 [0,0,0,0,0,0|1,0,0]=1 8 B14R0.392 C=CCOCC=CCCCCCCCC CNP0212725.0 [0,0,0,0,0,0|2,0,2]=4 9 B14R0.392 CC=CC#CCCCCCCCCCC CNP0224690.0 [0,0,0,0,0,0|1,0,3]=4 10 B14R0.392 CC=CCC=CCCCCCCCC=O CNP0298520.0 [0,0,0,0,0,0|0,0,4]=4 11 B14R0.392 CC=CCCCCCCCCCCCC CNP0134200.0 [0,0,0,0,0,0|1,0,1]=2 12 B14R0.392 CC=CCCCCCCCCCCCO CNP0292605.0 [0,0,0,0,0,0|2,0,1]=3 13 B14R0.392 CCC#CCCCCCCCCCCO CNP0520588.0 [0,0,0,0,0,0|0,0,4]=4 14 B14R0.392 CCC=CC=CCCCCCCCC=O CNP0104034.0 [0,0,0,0,0,0|0,0,4]=4 15 B14R0.392 CCC=CCCCCCCCCCC=O CNP0381172.0 [0,0,0,0,0,0|0,0,2]=2 16 B14R0.392 CCC=CCCCCCCCCCCO CNP0175758.0 [0,0,0,0,0,0|0,0,4]=4 17 B14R0.392 CCC=CCCCCCCCCOC=O CNP0311687.0 [0,0,0,0,0,0|1,0,2]=3 18 B14R0.392 CCCC=CC=CCCCCCCC=O CNP0212002.0 [0,0,0,0,0,0|0,0,4]=4 19 B14R0.392 CCCC=CCCCCCCCCCO CNP0246964.0 [0,0,0,0,0,0|0,0,4]=4 20 B14R0.392 CCCCC=CCCCCCCCC=O CNP0270269.0 [0,0,0,0,0,0|0,0,2]=2 21 B14R0.392 CCCCC=CCCCCCCCCN CNP0374688.0 [0,0,0,0,0,0|1,0,3]=4 22 B14R0.392 CCCCC=CCCCCCCCCO CNP0209176.0 [0,0,0,0,0,0|0,0,4]=4 23 B14R0.392 CCCCCC=CCCCCCCCC CNP0295392.0 [0,0,0,0,0,0|1,0,3]=4 24 B14R0.392 CCCCCC=CCCCCCCCO CNP0168751.0 [0,0,0,0,0,0|0,0,4]=4 25 B14R0.392 CCCCCCC=CCCCCCC#N CNP0071943.0 [0,0,0,0,0,0|1,0,3]=4 26 B14R0.392 CCCCCCC=CCCCCCC=O CNP0173800.0 [0,0,0,0,0,0|0,0,2]=2 27 B14R0.392 CCCCCCC=CCCCCCCC CNP0169056.0 [0,0,0,0,0,0|1,0,3]=4 28 B14R0.392 CCCCCCC=CCCCCCCN CNP0143158.0 [0,0,0,0,0,0|1,0,3]=4 29 B14R0.392 CCCCCCC=CCCCCCCO CNP0276887.0 [0,0,0,0,0,0|0,0,4]=4 30 B14R0.392 CCCCCCCC=CCCCCCO CNP0239348.0 [0,0,0,0,0,0|0,0,4]=4 31 B14R0.392 CCCCCCCCC=CCCCC=O CNP0381300.0 [0,0,0,0,0,0|0,0,2]=2 32 B14R0.392 CCCCCCCCC=CCCCCO CNP0222511.0 [0,0,0,0,0,0|0,0,4]=4 33 B14R0.392 CCCCCCCCCCC#CCCO CNP0573718.0 [0,0,0,0,0,0|0,0,4]=4 34 B14R0.392 CCCCCCCCCCC=CCC#N CNP0213951.0 [0,0,0,0,0,0|1,0,3]=4 35 B14R0.392 CCCCCCCCCCC=CCCO CNP0306792.0 [0,0,0,0,0,0|0,0,4]=4 36 B14R0.392 CCCCCCCCCCCC=CC=O CNP0054792.0 [0,0,0,0,0,0|0,0,2]=2 37 B14R0.392 CCCCCCCCCCCC=CCO CNP0358958.0 [0,0,0,0,0,0|0,0,4]=4 38 B14R0.392 CCCCCCCCCCCCC#CO CNP0075343.0 [0,0,0,0,0,0|0,0,3]=3 39 B14R0.392 CCCCCCCCCCCCCC#N CNP0173573.0 [0,0,0,0,0,0|1,0,1]=2 40 B14R0.392 CCCCCCCCCCCCCC=O CNP0200880.0 [0,0,0,0,0,0|0,0,0]=0 41 B14R0.392 CCCCCCCCCCCCCCC CNP0314547.0 [0,0,0,0,0,0|1,0,1]=2 42 B14R0.392 CCCCCCCCCCCCCCCl CNP0509321.0 [0,0,0,0,0,0|1,0,1]=2 43 B14R0.392 CCCCCCCCCCCCCCI CNP0576364.0 [0,0,0,0,0,0|1,0,1]=2 44 B14R0.392 CCCCCCCCCCCCCCN CNP0079841.0 [0,0,0,0,0,0|1,0,1]=2 45 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [0,0,0,0,0,0|0,0,2]=2 46 B14R0.392 CCCCCCCCCCCCCC[11CH3] CNP0480041.0 [0,0,0,0,0,0|1,0,1]=2 47 B14R0.392 CCCCCCCCOCCCCCC CNP0511916.0 [0,0,0,0,0,0|2,0,1]=3 48 B14R0.392 NCCCCCCNCCCCCCN CNP0503311.0 [0,0,0,0,0,0|3,0,1]=4 49 B14R0.392 O=CCCCCCCCCCCCC=O CNP0157180.0 [0,0,0,0,0,0|1,0,1]=2 50 B14R0.392 OCCCCCCCCCCCCCO CNP0197941.0 [0,0,0,0,0,0|1,0,2]=3 51 B13R0.336 C#CCCCCCCCCCCCC CNP0579427.0 [1,0,0,0,0,0|0,0,2]=3 52 B13R0.336 C=CCCCCCCC=CCCCC CNP0527141.0 [1,0,0,0,0,0|0,0,3]=4 53 B13R0.336 C=CCCCCCCCCCCC=C CNP0252871.0 [1,0,0,0,0,0|0,0,3]=4 54 B13R0.336 C=CCCCCCCCCCCCC CNP0137398.0 [1,0,0,0,0,0|0,0,1]=2 55 B13R0.336 C=CCNCCCCCCCCCC CNP0522683.0 [1,0,0,0,0,0|1,0,1]=3 56 B13R0.336 CC=CCCCCCCCCCCC CNP0269313.0 [1,0,0,0,0,0|1,0,1]=3 57 B13R0.336 CC=CCCCCCCCCCCO CNP0151348.0 [1,0,0,0,0,0|0,0,3]=4 58 B13R0.336 CCC=CCCCCCCCCCC CNP0003426.0 [1,0,0,0,0,0|0,0,3]=4 59 B13R0.336 CCC=CCCCCCCCCCO CNP0173162.0 [1,0,0,0,0,0|0,0,3]=4 60 B13R0.336 CCCC=CCCCCCCCCC CNP0541639.0 [1,0,0,0,0,0|0,0,3]=4 61 B13R0.336 CCCCC=CCCCCCCCC CNP0076420.0 [1,0,0,0,0,0|0,0,3]=4 62 B13R0.336 CCCCC=CCCCCCCCO CNP0171301.0 [1,0,0,0,0,0|0,0,3]=4 63 B13R0.336 CCCCCC#CCCCCCCC CNP0610552.0 [1,0,0,0,0,0|0,0,3]=4 64 B13R0.336 CCCCCCC#CCCCCCC CNP0076786.0 [1,0,0,0,0,0|0,0,3]=4 65 B13R0.336 CCCCCCC=CCCCCCC CNP0084834.0 [1,0,0,0,0,0|0,0,3]=4 66 B13R0.336 CCCCCCCCC=CCCC=O CNP0003281.0 [1,0,0,0,0,0|0,0,2]=3 67 B13R0.336 CCCCCCCCC=CCCCO CNP0351626.0 [1,0,0,0,0,0|0,0,3]=4 68 B13R0.336 CCCCCCCCCCC=CC=O CNP0146353.0 [1,0,0,0,0,0|0,0,2]=3 69 B13R0.336 CCCCCCCCCCC=CCO CNP0096544.0 [1,0,0,0,0,0|0,0,3]=4 70 B13R0.336 CCCCCCCCCCCC=CO CNP0586715.0 [1,0,0,0,0,0|0,0,2]=3 71 B13R0.336 CCCCCCCCCCCC=NO CNP0018714.0 [1,0,0,0,0,0|1,0,2]=4 72 B13R0.336 CCCCCCCCCCCCC#N CNP0226803.0 [1,0,0,0,0,0|1,0,1]=3 73 B13R0.336 CCCCCCCCCCCCC=O CNP0222214.0 [1,0,0,0,0,0|0,0,0]=1 74 B13R0.336 CCCCCCCCCCCCCC CNP0293304.0 [1,0,0,0,0,0|0,0,1]=2 75 B13R0.336 CCCCCCCCCCCCCI CNP0486092.0 [1,0,0,0,0,0|1,0,0]=2 76 B13R0.336 CCCCCCCCCCCCCN CNP0561220.0 [1,0,0,0,0,0|1,0,0]=2 77 B13R0.336 CCCCCCCCCCCCCO CNP0139347.0 [1,0,0,0,0,0|0,0,1]=2 78 B13R0.336 CCCCCCCCCCCOC=O CNP0085671.0 [1,0,0,0,0,0|1,0,0]=2 79 B13R0.336 OCCCCCCCCCCCCBr CNP0591539.0 [1,0,0,0,0,0|1,0,1]=3 80 B13R0.336 OCCCCCCCCCCCCO CNP0172707.0 [1,0,0,0,0,0|1,0,1]=3 81 B15R0.70 BrCCCCCCCCCCCCCCBr CNP0564678.0 [0,1,0,0,0,0|1,0,1]=3 82 B15R0.70 C#CCCCCCCCCCCCCCC CNP0096283.0 [0,1,0,0,0,0|1,0,1]=3 83 B15R0.70 C=CCCCCCCCCCCC=CC=O CNP0076949.0 [0,1,0,0,0,0|0,0,3]=4 84 B15R0.70 C=CCCCCCCCCCCCCC=C CNP0600490.0 [0,1,0,0,0,0|1,0,1]=3 85 B15R0.70 C=CCCCCCCCCCCCCCC CNP0322122.0 [0,1,0,0,0,0|1,0,0]=2 86 B15R0.70 CC=CCCCCCCCCCCCCC CNP0136962.0 [0,1,0,0,0,0|1,0,0]=2 87 B15R0.70 CCC=CCCCCCCCCCCCC CNP0086114.0 [0,1,0,0,0,0|1,0,1]=3 88 B15R0.70 CCCC=CCCCCCCCCCC=O CNP0609859.0 [0,1,0,0,0,0|0,0,1]=2 89 B15R0.70 CCCC=CCCCCCCCCCCO CNP0086283.0 [0,1,0,0,0,0|0,0,3]=4 90 B15R0.70 CCCCC=CCCCC=CCCCC=O CNP0135849.0 [0,1,0,0,0,0|0,0,3]=4 91 B15R0.70 CCCCC=CCCCCCCCCCO CNP0272090.0 [0,1,0,0,0,0|0,0,3]=4 92 B15R0.70 CCCCCC=CCCCCCCCCO CNP0264324.0 [0,1,0,0,0,0|0,0,3]=4 93 B15R0.70 CCCCCCC#CCCCCCCCC CNP0611378.0 [0,1,0,0,0,0|1,0,2]=4 94 B15R0.70 CCCCCCC=CCCCCCCCC CNP0076332.0 [0,1,0,0,0,0|1,0,2]=4 95 B15R0.70 CCCCCCCC=CCCCCCC=O CNP0281465.0 [0,1,0,0,0,0|0,0,1]=2 96 B15R0.70 CCCCCCCCCCC=CC=CC=O CNP0368294.0 [0,1,0,0,0,0|0,0,3]=4 97 B15R0.70 CCCCCCCCCCCC=CCC#N CNP0333713.0 [0,1,0,0,0,0|1,0,2]=4 98 B15R0.70 CCCCCCCCCCCC=CCC=O CNP0103318.0 [0,1,0,0,0,0|0,0,1]=2 99 B15R0.70 CCCCCCCCCCCCC#CCO CNP0086208.0 [0,1,0,0,0,0|0,0,3]=4 100 B15R0.70 CCCCCCCCCCCCC=CC=O CNP0610784.0 [0,1,0,0,0,0|0,0,1]=2 101 B15R0.70 CCCCCCCCCCCCC=COC CNP0603784.0 [0,1,0,0,0,0|0,0,2]=3 102 B15R0.70 CCCCCCCCCCCCCC#CO CNP0526632.0 [0,1,0,0,0,0|0,0,2]=3 103 B15R0.70 CCCCCCCCCCCCCCC#N CNP0071942.0 [0,1,0,0,0,0|1,0,1]=3 104 B15R0.70 CCCCCCCCCCCCCCC=O CNP0331942.0 [0,1,0,0,0,0|0,0,0]=1 105 B15R0.70 CCCCCCCCCCCCCCCC CNP0250856.0 [0,1,0,0,0,0|1,0,1]=3 106 B15R0.70 CCCCCCCCCCCCCCCN CNP0430437.0 [0,1,0,0,0,0|1,0,1]=3 107 B15R0.70 CCCCCCCCCCCCCCCO CNP0150941.0 [0,1,0,0,0,0|0,0,2]=3 108 B15R0.70 CCCCCCCSSCCCCCCC CNP0275702.0 [0,1,0,0,0,0|2,0,1]=4 109 B15R0.70 OCCCCCCCCCCCCCCO CNP0086028.0 [0,1,0,0,0,0|0,0,2]=3 110 B15R0.70 [CH2]CCCCCCCCCCCCCCC CNP0541899.0 [0,1,0,0,0,0|1,0,1]=3 111 B15R0.81 CCCCCCCCCCCCC(=O)OC CNP0210866.0 [0,1,0,0,0,0|2,0,1]=4 112 B15R0.81 CCCCCCCCCCCC[C@@H](C)CC CNP0322318.2 [0,1,0,0,0,0|1,0,1]=3 113 B15R0.81 CCCCCCCCCCCC[C@H](Br)CBr CNP0107528.1 [0,1,0,0,0,0|1,0,1]=3 114 B15R0.81 CCCCCCCCCCCC[C@H](C)CC CNP0322318.1 [0,1,0,0,0,0|1,0,1]=3 115 B15R0.81 CCCCCCCCCCCC[C@H](O)CO CNP0295554.1 [0,1,0,0,0,0|0,0,2]=3 116 B15R0.81 CC[C@H](C)CCCCCCCCCCCN CNP0288451.1 [0,1,0,0,0,0|1,0,1]=3 117 B15R0.81 CC[C@H](C)CCCCCCCCCCCO CNP0193546.1 [0,1,0,0,0,0|0,0,2]=3 118 B15R0.133 CCCCCCCC(=O)CCCCCCC CNP0109225.0 [0,1,0,0,0,0|1,0,2]=4 119 B15R0.133 CCCCCCCC(O)CCCCCCC CNP0547904.0 [0,1,0,0,0,0|1,0,1]=3 120 B15R0.149 CCCCCCCCC(=O)CCCCCC CNP0003490.0 [0,1,0,0,0,0|1,0,2]=4 121 B15R0.149 CCCCCCCCC(C)CCCCCC CNP0602836.0 [0,1,0,0,0,0|1,0,1]=3 122 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [0,1,0,0,0,0|1,0,0]=2 123 B15R0.164 C=CCCCCCCCCCCOC(=O)C CNP0406625.0 [0,1,0,0,0,0|1,0,2]=4 124 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [0,1,0,0,0,0|2,0,0]=3 125 B15R0.164 CC(C)CCCCCCCCCCCC#N CNP0071937.0 [0,1,0,0,0,0|1,0,1]=3 126 B15R0.164 CC=CCCCCCCCCCOC(=O)C CNP0230290.0 [0,1,0,0,0,0|1,0,2]=4 127 B15R0.164 CCC=CCCCCCCCCCC(=O)O CNP0128284.0 [0,1,0,0,0,0|0,0,2]=3 128 B15R0.164 CCC=CCCCCCCCCOC(=O)C CNP0132176.0 [0,1,0,0,0,0|1,0,2]=4 129 B15R0.164 CCCC=CCCCCCCCCC(=O)O CNP0296382.0 [0,1,0,0,0,0|0,0,2]=3 130 B15R0.164 CCCC=CCCCCCCCOC(=O)C CNP0304445.0 [0,1,0,0,0,0|1,0,2]=4 131 B15R0.164 CCCCC=CCCCCCCCC(=O)O CNP0275417.0 [0,1,0,0,0,0|0,0,2]=3 132 B15R0.164 CCCCC=CCCCCCCOC(=O)C CNP0179053.0 [0,1,0,0,0,0|1,0,2]=4 133 B15R0.164 CCCCCC=CCCCCCCC(=O)O CNP0610378.0 [0,1,0,0,0,0|0,0,2]=3 134 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [0,1,0,0,0,0|0,0,2]=3 135 B15R0.164 CCCCCCC=CCCCCCC(=O)O CNP0217475.0 [0,1,0,0,0,0|0,0,2]=3 136 B15R0.164 CCCCCCC=CCCCCOC(=O)C CNP0212830.0 [0,1,0,0,0,0|1,0,2]=4 137 B15R0.164 CCCCCCCC=CCCCCC(=O)O CNP0592369.0 [0,1,0,0,0,0|0,0,2]=3 138 B15R0.164 CCCCCCCC=CCCCOC(=O)C CNP0503025.0 [0,1,0,0,0,0|1,0,2]=4 139 B15R0.164 CCCCCCCCC#CCCCC(=O)O CNP0087239.0 [0,1,0,0,0,0|0,0,2]=3 140 B15R0.164 CCCCCCCCC=CCCCC(=O)O CNP0243360.0 [0,1,0,0,0,0|0,0,2]=3 141 B15R0.164 CCCCCCCCC=CCCOC(=O)C CNP0610375.0 [0,1,0,0,0,0|1,0,2]=4 142 B15R0.164 CCCCCCCCCC=CCCC(=O)O CNP0153002.0 [0,1,0,0,0,0|0,0,2]=3 143 B15R0.164 CCCCCCCCCCC=CCC(=O)O CNP0286494.0 [0,1,0,0,0,0|0,0,2]=3 144 B15R0.164 CCCCCCCCCCC=COC(=O)C CNP0375176.0 [0,1,0,0,0,0|1,0,2]=4 145 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [0,1,0,0,0,0|0,0,2]=3 146 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [0,1,0,0,0,0|0,0,0]=1 147 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [0,1,0,0,0,0|0,0,0]=1 148 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [0,1,0,0,0,0|0,0,0]=1 149 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [0,1,0,0,0,0|0,0,0]=1 150 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [0,1,0,0,0,0|0,0,0]=1 151 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [0,1,0,0,0,0|0,0,0]=1 152 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [0,1,0,0,0,0|0,0,0]=1 153 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [0,1,0,0,0,0|0,0,0]=1 154 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [0,1,0,0,0,0|0,0,0]=1 155 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [0,1,0,0,0,0|0,0,0]=1 156 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [0,1,0,0,0,0|0,0,0]=1 157 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [0,1,0,0,0,0|1,0,1]=3 158 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [0,1,0,0,0,0|0,0,2]=3 159 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [0,1,0,0,0,0|0,0,2]=3 160 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [0,1,0,0,0,0|1,0,0]=2 161 B15R0.164 CCCCCCCCCCCCOC(C)C CNP0155066.0 [0,1,0,0,0,0|2,0,1]=4 162 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [0,1,0,0,0,0|1,0,0]=2 163 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [0,1,0,0,0,0|1,0,0]=2 164 B15R0.164 O=CCCCCCCCCCCCC(=O)O CNP0017740.0 [0,1,0,0,0,0|1,0,1]=3 165 B15R0.322 C=CCCCCCCCC(=O)OCCCC CNP0585797.0 [0,1,0,0,0,0|2,0,1]=4 166 B15R0.366 C=CCCCCCCCCCC(=O)CC=O CNP0362766.0 [0,1,0,0,0,0|0,0,3]=4 167 B15R0.366 C=COC(=O)CCCCCCCCCCC CNP0315574.0 [0,1,0,0,0,0|2,0,1]=4 168 B15R0.366 CCCCCCCCCCCC(=O)CC=O CNP0349328.0 [0,1,0,0,0,0|0,0,1]=2 169 B15R0.366 CCCCCCCCCCCC(=O)CCO CNP0280181.0 [0,1,0,0,0,0|0,0,3]=4 170 B15R0.366 CCCCCCCCCCCC(C)CCC CNP0084820.0 [0,1,0,0,0,0|1,0,1]=3 171 B15R0.366 CCOC(=O)CCCCCCCCCC=O CNP0279106.0 [0,1,0,0,0,0|1,0,1]=3 172 B15R0.2002 C=C(C=CC=O)CCCCCCCCCC CNP0133880.0 [0,1,0,0,0,0|0,0,3]=4 173 B15R0.2002 CCCCCCCCCC[C@@H](O)CCCO CNP0148861.1 [0,1,0,0,0,0|0,0,2]=3 174 B15R0.2002 CCCCCCCCCC[C@H](C)CCCC CNP0220611.1 [0,1,0,0,0,0|1,0,1]=3 175 B15R0.2002 CCCCCCCCCC[C@H](O)CCCO CNP0148861.2 [0,1,0,0,0,0|0,0,2]=3 176 B15R1.35 CCCCCCCCCC1=NCCCC1 CNP0450651.0 [0,0,0,1,0,0|1,0,2]=4 177 B15R1.35 CCCCCCCCCC1CCCCC1 CNP0080463.0 [0,0,0,1,0,0|1,0,1]=3 178 B15R1.253 N[C@H]1CCCCCCCCCCNC1=O CNP0547506.1 [0,0,0,1,0,0|2,0,0]=3 179 B15R1.2988 C1CCCCCCCCCCCCCC1 CNP0076970.0 [0,0,0,1,0,0|1,0,1]=3 180 B15R1.3873 O=CC=C1CCCCCCCCCCC1 CNP0338593.0 [0,0,0,1,0,0|0,0,2]=3 181 B15R1.6595 C[C@H]1CCCCCCCNCCCNC1 CNP0145733.1 [0,0,0,1,0,0|3,0,0]=4 182 B15R1.6595 O=C1C=CCCCCCCCCCCC1 CNP0071987.0 [0,0,0,1,0,0|0,0,2]=3 183 B15R1.6595 O=C1CCCC=CCCCCCCCC1 CNP0321790.0 [0,0,0,1,0,0|0,0,2]=3 184 B15R1.6595 O=C1CCCCCCCCCCCCC1 CNP0211498.0 [0,0,0,1,0,0|0,0,0]=1 185 B15R1.6595 O=C1CCCCCCCCCCCCO1 CNP0407259.0 [0,0,0,1,0,0|1,0,0]=2 186 B12R0.5 C=CCCCCCCCCCCC CNP0324663.0 [2,0,0,0,0,0|0,0,1]=3 187 B12R0.5 C=CCCCCCCCCCCO CNP0237635.0 [2,0,0,0,0,0|1,0,1]=4 188 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [2,0,0,0,0,0|0,0,2]=4 189 B12R0.5 CCC=CCCCCCCCC=O CNP0222286.0 [2,0,0,0,0,0|0,0,2]=4 190 B12R0.5 CCC=CCCCCCCCCC CNP0534908.0 [2,0,0,0,0,0|0,0,2]=4 191 B12R0.5 CCCCC=CCCCCCC=O CNP0318145.0 [2,0,0,0,0,0|0,0,2]=4 192 B12R0.5 CCCCC=CCCCCCCC CNP0586294.0 [2,0,0,0,0,0|0,0,2]=4 193 B12R0.5 CCCCCC#CCCCCCC CNP0154721.0 [2,0,0,0,0,0|0,0,2]=4 194 B12R0.5 CCCCCC=CCCCCC=O CNP0590554.0 [2,0,0,0,0,0|0,0,2]=4 195 B12R0.5 CCCCCC=CCCCCCC CNP0240715.0 [2,0,0,0,0,0|0,0,2]=4 196 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [2,0,0,0,0,0|0,0,2]=4 197 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [2,0,0,0,0,0|0,0,2]=4 198 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [2,0,0,0,0,0|0,0,2]=4 199 B12R0.5 CCCCCCCCCCCC#N CNP0071944.0 [2,0,0,0,0,0|1,0,1]=4 200 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [2,0,0,0,0,0|0,0,0]=2 201 B12R0.5 CCCCCCCCCCCCC CNP0251262.0 [2,0,0,0,0,0|0,0,0]=2 202 B12R0.5 CCCCCCCCCCCCO CNP0281602.0 [2,0,0,0,0,0|0,0,1]=3 203 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [2,0,0,0,0,0|1,0,0]=3 204 B12R0.5 CCCCCCCCCCOCO CNP0587051.0 [2,0,0,0,0,0|1,0,1]=4 205 B12R0.5 CCCCCCCCCOCCC CNP0508454.0 [2,0,0,0,0,0|1,0,0]=3 206 B12R0.5 CCCCCCNCCCCCC CNP0462839.0 [2,0,0,0,0,0|1,0,0]=3 207 B12R0.5 CCCCCCOCCCCCC CNP0492138.0 [2,0,0,0,0,0|1,0,0]=3 208 B12R0.5 OCCCCCCCCCCCO CNP0368503.0 [2,0,0,0,0,0|1,0,1]=4 209 B14R0.145 CCCCCCCC(O)CCCCCC CNP0151041.0 [1,1,0,0,0,0|0,0,1]=3 210 B14R0.145 CCCCCCC[C@@H](C)CCCCCC CNP0316250.1 [1,1,0,0,0,0|0,0,1]=3 211 B14R0.145 CCCCCCC[C@H](C)CCCCCC CNP0316250.2 [1,1,0,0,0,0|0,0,1]=3 212 B14R0.179 CCCCCCCC[C@H](O)CCCCO CNP0017921.1 [1,1,0,0,0,0|0,0,1]=3 213 B14R0.337 C=CC(=O)CCCCCCCCCCC CNP0334014.0 [1,1,0,0,0,0|0,0,2]=4 214 B14R0.337 CCCCCCCCCCCC(=O)CC CNP0260208.0 [1,1,0,0,0,0|0,0,2]=4 215 B14R0.337 CCCCCCCCCCCC(=O)CO CNP0162178.0 [1,1,0,0,0,0|0,0,2]=4 216 B14R0.337 CCCCCCCCCCC[C@H](C)CC CNP0294304.1 [1,1,0,0,0,0|0,0,1]=3 217 B14R0.337 COC(=O)CCCCCCCCCC=O CNP0314293.0 [1,1,0,0,0,0|1,0,1]=4 218 B14R0.393 CCCCCCCCCCC(C)CCC CNP0003453.0 [1,1,0,0,0,0|0,0,1]=3 219 B14R0.393 CCCCCCCCCC[C@@H](O)CCC CNP0076547.2 [1,1,0,0,0,0|0,0,1]=3 220 B14R0.393 CCCCCCCCCC[C@H](O)CCC CNP0076547.1 [1,1,0,0,0,0|0,0,1]=3 221 B14R0.394 C#CCCCCCCCCCCC(=O)C CNP0503056.0 [1,1,0,0,0,0|0,0,2]=4 222 B14R0.394 CC(C)CCCCCCCCCCC=O CNP0178223.0 [1,1,0,0,0,0|0,0,0]=2 223 B14R0.394 CC(C)CCCCCCCCCCCN CNP0301011.0 [1,1,0,0,0,0|1,0,0]=3 224 B14R0.394 CCCCCC=CCCCCCC(=O)O CNP0547535.0 [1,1,0,0,0,0|0,0,2]=4 225 B14R0.394 CCCCCCC=CCCCCC(=O)C CNP0245771.0 [1,1,0,0,0,0|0,0,2]=4 226 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [1,1,0,0,0,0|0,0,2]=4 227 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [1,1,0,0,0,0|0,0,0]=2 228 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [1,1,0,0,0,0|0,0,0]=2 229 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [1,1,0,0,0,0|0,0,0]=2 230 B14R0.394 CCCCCCCCCCCCC(C)C CNP0391491.0 [1,1,0,0,0,0|0,0,1]=3 231 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [1,1,0,0,0,0|0,0,1]=3 232 B14R0.394 CCCCCCCCCCCCN(C)C CNP0476829.0 [1,1,0,0,0,0|1,0,1]=4 233 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [1,1,0,0,0,0|1,0,0]=3 234 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [1,1,0,0,0,0|1,0,0]=3 235 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [1,1,0,0,0,0|1,0,0]=3 236 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [1,1,0,0,0,0|1,0,0]=3 237 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [1,1,0,0,0,0|1,0,0]=3 238 B14R0.493 CCCCCCCCCC(=O)CCCC CNP0481269.0 [1,1,0,0,0,0|0,0,2]=4 239 B14R0.493 CCCCCCCCC[C@H](C)CCCC CNP0076142.1 [1,1,0,0,0,0|0,0,1]=3 240 B14R0.493 CCCC[C@H](O)CCCCCCCCO CNP0388153.1 [1,1,0,0,0,0|0,0,1]=3 241 B16R0.61 C=CCCCCCCCCCC[C@H](C)CCC CNP0080381.1 [0,2,0,0,0,0|1,0,0]=3 242 B16R0.61 CCCCCCCCCCCCC(=O)CCC CNP0585123.0 [0,2,0,0,0,0|1,0,1]=4 243 B16R0.61 CCCCCCCCCCCCC(O)CCC CNP0221367.0 [0,2,0,0,0,0|1,0,1]=4 244 B16R0.61 CCCCCCCCCCCC[C@H](C)CCC CNP0157313.1 [0,2,0,0,0,0|1,0,1]=4 245 B16R0.61 CCOC(=O)CCCCCCCCCCC=O CNP0602430.0 [0,2,0,0,0,0|0,0,1]=3 246 B16R0.68 C=CCCCCCCCCC(=O)OCCCC CNP0405383.0 [0,2,0,0,0,0|1,0,1]=4 247 B16R0.68 CCCCCCCCCC[C@H](C)CCCCC CNP0145101.1 [0,2,0,0,0,0|1,0,1]=4 248 B16R0.221 C=CC(=O)OCCCCCCCCCCCC CNP0018126.0 [0,2,0,0,0,0|1,0,0]=3 249 B16R0.221 C=CCCCCCCCCCCCC(=O)C=C CNP0155328.0 [0,2,0,0,0,0|0,0,2]=4 250 B16R0.221 CCCCC=CCCCCCCCC(=O)OC CNP0150160.0 [0,2,0,0,0,0|0,0,2]=4 251 B16R0.221 CCCCCCCCCC=CCCC(=O)OC CNP0195665.0 [0,2,0,0,0,0|0,0,2]=4 252 B16R0.221 CCCCCCCCCCCC=CC(=O)OC CNP0295487.0 [0,2,0,0,0,0|0,0,2]=4 253 B16R0.221 CCCCCCCCCCCCC=C(Cl)C=O CNP0233432.0 [0,2,0,0,0,0|0,0,1]=3 254 B16R0.221 CCCCCCCCCCCCCC(=O)CC CNP0113176.0 [0,2,0,0,0,0|0,0,0]=2 255 B16R0.221 CCCCCCCCCCCCCC(=O)NN CNP0308205.0 [0,2,0,0,0,0|0,0,0]=2 256 B16R0.221 CCCCCCCCCCCCCC(=O)OC CNP0250171.0 [0,2,0,0,0,0|0,0,0]=2 257 B16R0.221 CCCCCCCCCCCCC[C@H](C)CC CNP0266860.1 [0,2,0,0,0,0|1,0,1]=4 258 B16R0.221 CCCCCCCCCCCCC[C@H](C)CO CNP0371129.1 [0,2,0,0,0,0|0,0,2]=4 259 B16R0.221 CCCCCCCCCCCCOC(=O)CC CNP0245605.0 [0,2,0,0,0,0|1,0,0]=3 260 B16R0.221 COC(=O)CCCCCCCCCCCC=O CNP0018335.0 [0,2,0,0,0,0|0,0,1]=3 261 B16R0.274 C=CCCCCCCCCCCCCC(=O)O CNP0603181.0 [0,2,0,0,0,0|0,0,1]=3 262 B16R0.274 CC(=O)CCCCCCCCCCCCCS CNP0302286.0 [0,2,0,0,0,0|0,0,0]=2 263 B16R0.274 CC(C)CCCCCCCCCCCCCO CNP0105559.0 [0,2,0,0,0,0|0,0,2]=4 264 B16R0.274 CC=CCCCCCCCCCCOC(=O)C CNP0169833.0 [0,2,0,0,0,0|0,0,2]=4 265 B16R0.274 CCC=CCCCCCCCCCOC(=O)C CNP0121501.0 [0,2,0,0,0,0|0,0,2]=4 266 B16R0.274 CCCC=CCCCCCCCCCC(=O)C CNP0353158.0 [0,2,0,0,0,0|0,0,1]=3 267 B16R0.274 CCCCC=CCCCCCCCCC(=O)O CNP0380914.0 [0,2,0,0,0,0|0,0,1]=3 268 B16R0.274 CCCCC=CCCCCCCCOC(=O)C CNP0226940.0 [0,2,0,0,0,0|0,0,2]=4 269 B16R0.274 CCCCCC=CCCCCCCCC(=O)C CNP0353143.0 [0,2,0,0,0,0|0,0,1]=3 270 B16R0.274 CCCCCC=CCCCCCCCC(=O)O CNP0117637.0 [0,2,0,0,0,0|0,0,1]=3 271 B16R0.274 CCCCCCCC=CCCCCCC(=O)C CNP0147970.0 [0,2,0,0,0,0|0,0,1]=3 272 B16R0.274 CCCCCCCC=CCCCCCC(=O)O CNP0126394.0 [0,2,0,0,0,0|0,0,1]=3 273 B16R0.274 CCCCCCCCC=CCCCCC(=O)O CNP0402096.0 [0,2,0,0,0,0|0,0,1]=3 274 B16R0.274 CCCCCCCCC=CCCCOC(=O)C CNP0231014.0 [0,2,0,0,0,0|0,0,2]=4 275 B16R0.274 CCCCCCCCCC=CCCCC(=O)O CNP0129624.0 [0,2,0,0,0,0|0,0,1]=3 276 B16R0.274 CCCCCCCCCCC=CCCC(=O)O CNP0133125.0 [0,2,0,0,0,0|0,0,1]=3 277 B16R0.274 CCCCCCCCCCCCC=CC(=O)O CNP0134714.0 [0,2,0,0,0,0|0,0,1]=3 278 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [0,2,0,0,0,0|1,0,0]=3 279 B16R0.274 CCCCCCCCCCCCCCC(=O)C CNP0199817.0 [0,2,0,0,0,0|0,0,0]=2 280 B16R0.274 CCCCCCCCCCCCCCC(=O)N CNP0205548.0 [0,2,0,0,0,0|0,0,0]=2 281 B16R0.274 CCCCCCCCCCCCCCC(=O)O CNP0296248.0 [0,2,0,0,0,0|0,0,0]=2 282 B16R0.274 CCCCCCCCCCCCCCC(=O)S CNP0085720.0 [0,2,0,0,0,0|0,0,0]=2 283 B16R0.274 CCCCCCCCCCCCCCC(C)C CNP0256136.0 [0,2,0,0,0,0|1,0,1]=4 284 B16R0.274 CCCCCCCCCCCCCCN(C)C CNP0466864.0 [0,2,0,0,0,0|1,0,1]=4 285 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [0,2,0,0,0,0|0,0,2]=4 286 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [0,2,0,0,0,0|0,0,2]=4 287 B16R0.274 CCCCCCCCCCCCCNC(=O)C CNP0572123.0 [0,2,0,0,0,0|0,0,0]=2 288 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [0,2,0,0,0,0|0,0,0]=2 289 B16R0.274 CCCCCCCCCCCCNCC(C)C CNP0078582.0 [0,2,0,0,0,0|1,0,1]=4 290 B16R0.274 NCCCCCCCCCCCCCC(=O)O CNP0222186.0 [0,2,0,0,0,0|0,0,0]=2 291 B16R0.274 O=C(O)CCCCCCCCCC=CCCO CNP0264070.0 [0,2,0,0,0,0|0,0,2]=4 292 B16R0.274 O=C(O)CCCCCCCCCCCCCO CNP0138691.0 [0,2,0,0,0,0|0,0,0]=2 293 B16R0.303 C=CC=CCCCCCCCCCCCCC CNP0526692.0 [0,2,0,0,0,0|1,0,0]=3 294 B16R0.303 C=CCCCCCC=CCCCCCCCC CNP0130742.0 [0,2,0,0,0,0|1,0,0]=3 295 B16R0.303 C=CCCCCCCCCCCCCCC=O CNP0204307.0 [0,2,0,0,0,0|0,0,0]=2 296 B16R0.303 C=CCCCCCCCCCCCCCCC CNP0172069.0 [0,2,0,0,0,0|1,0,0]=3 297 B16R0.303 CC=CCCCCCCCCCCCCC=O CNP0076113.0 [0,2,0,0,0,0|0,0,0]=2 298 B16R0.303 CCC=CC=CCCCCCCCCCC=O CNP0284873.0 [0,2,0,0,0,0|0,0,2]=4 299 B16R0.303 CCC=CCC=CCCCCCCCCC=O CNP0268609.0 [0,2,0,0,0,0|0,0,2]=4 300 B16R0.303 CCC=CCCCCCCCCCCCC=O CNP0152521.0 [0,2,0,0,0,0|0,0,0]=2 301 B16R0.303 CCC=CCCCCCCCCCCCCC CNP0237923.0 [0,2,0,0,0,0|1,0,0]=3 302 B16R0.303 CCCC=CC=CCCCCCCCCC=O CNP0284904.0 [0,2,0,0,0,0|0,0,2]=4 303 B16R0.303 CCCC=CCCCCCCCCCCC=O CNP0171749.0 [0,2,0,0,0,0|0,0,0]=2 304 B16R0.303 CCCCC=CC=CCCCCCCCC=O CNP0295548.0 [0,2,0,0,0,0|0,0,2]=4 305 B16R0.303 CCCCC=CCCCC=CCCCCC=O CNP0106679.0 [0,2,0,0,0,0|0,0,2]=4 306 B16R0.303 CCCCC=CCCCCCCCCCC=O CNP0207942.0 [0,2,0,0,0,0|0,0,0]=2 307 B16R0.303 CCCCC=CCCCCCCCCCCO CNP0183543.0 [0,2,0,0,0,0|0,0,2]=4 308 B16R0.303 CCCCC=CCCCCCCCCOC=O CNP0121515.0 [0,2,0,0,0,0|0,0,1]=3 309 B16R0.303 CCCCCC=CCC=CCCCCCC=O CNP0263901.0 [0,2,0,0,0,0|0,0,2]=4 310 B16R0.303 CCCCCC=CCCCCCCCCCC CNP0199300.0 [0,2,0,0,0,0|1,0,1]=4 311 B16R0.303 CCCCCC=CCCCCCCCOC=O CNP0111868.0 [0,2,0,0,0,0|0,0,1]=3 312 B16R0.303 CCCCCCC=CCCCCCCCC#N CNP0071941.0 [0,2,0,0,0,0|1,0,1]=4 313 B16R0.303 CCCCCCC=CCCCCCCCC=O CNP0286908.0 [0,2,0,0,0,0|0,0,0]=2 314 B16R0.303 CCCCCCC=CCCCCCCCCC CNP0179983.0 [0,2,0,0,0,0|1,0,1]=4 315 B16R0.303 CCCCCCC=CCCCCCCCCO CNP0133161.0 [0,2,0,0,0,0|0,0,2]=4 316 B16R0.303 CCCCCCCC=CCCCCCCCC CNP0163594.0 [0,2,0,0,0,0|1,0,1]=4 317 B16R0.303 CCCCCCCCC=CCCCCCC=O CNP0487153.0 [0,2,0,0,0,0|0,0,0]=2 318 B16R0.303 CCCCCCCCC=CCCCCCCO CNP0136465.0 [0,2,0,0,0,0|0,0,2]=4 319 B16R0.303 CCCCCCCCCCCCC=CCC#N CNP0071934.0 [0,2,0,0,0,0|1,0,1]=4 320 B16R0.303 CCCCCCCCCCCCCC=CC=O CNP0453411.0 [0,2,0,0,0,0|0,0,0]=2 321 B16R0.303 CCCCCCCCCCCCCC=CCO CNP0586462.0 [0,2,0,0,0,0|0,0,1]=3 322 B16R0.303 CCCCCCCCCCCCCCCC#N CNP0079880.0 [0,2,0,0,0,0|1,0,1]=4 323 B16R0.303 CCCCCCCCCCCCCCCC=O CNP0198736.0 [0,2,0,0,0,0|0,0,0]=2 324 B16R0.303 CCCCCCCCCCCCCCCCC CNP0342809.0 [0,2,0,0,0,0|1,0,1]=4 325 B16R0.303 CCCCCCCCCCCCCCCCI CNP0086206.0 [0,2,0,0,0,0|1,0,1]=4 326 B16R0.303 CCCCCCCCCCCCCCCCN CNP0611705.0 [0,2,0,0,0,0|1,0,1]=4 327 B16R0.303 CCCCCCCCCCCCCCCCO CNP0187598.0 [0,2,0,0,0,0|0,0,2]=4 328 B16R0.303 CCCCCCCCCCCCCCOC=O CNP0183171.0 [0,2,0,0,0,0|0,0,0]=2 329 B16R0.303 CCCCCCCCNCCCCCCCC CNP0081956.0 [0,2,0,0,0,0|1,0,1]=4 330 B16R0.303 CCCCCCCCOCCCCCCCC CNP0215186.0 [0,2,0,0,0,0|1,0,1]=4 331 B16R0.303 O=C=CCCCCCCCCCCCCCO CNP0157542.0 [0,2,0,0,0,0|0,0,0]=2 332 B16R0.6603 CCCCCCCCC[C@H](C)CCCCCC CNP0274515.1 [0,2,0,0,0,0|1,0,1]=4 333 B16R0.70 C=CC(C)C(=O)CCCCCCCCCCC CNP0085709.0 [0,2,0,0,0,0|1,0,1]=4 334 B16R0.164 CC[C@H](C)CCCCCCCCC[C@H](O)CO CNP0371800.1 [0,2,0,0,0,0|0,0,2]=4 335 B16R0.165 CCC(C)CCCC=CCCCCCC(=O)C CNP0353161.0 [0,2,0,0,0,0|0,0,2]=4 336 B16R0.165 CCC(C)CCCCCCC=CCCC(=O)O CNP0219477.0 [0,2,0,0,0,0|0,0,2]=4 337 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O CNP0162278.2 [0,2,0,0,0,0|0,0,0]=2 338 B16R0.165 CC[C@@H](C)CCCCCCCCCOC(=O)C CNP0202773.1 [0,2,0,0,0,0|1,0,0]=3 339 B16R0.165 CC[C@H](C)CCCCCCCCCCC(=O)O CNP0162278.1 [0,2,0,0,0,0|0,0,0]=2 340 B16R0.165 CC[C@H](C)CCCCCCCCCOC(=O)C CNP0202773.2 [0,2,0,0,0,0|1,0,0]=3 341 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O CNP0162114.0 [0,2,0,0,0,0|1,0,1]=4 342 B16R0.224 CCCCCCCCCCCCC(=O)C(=O)O CNP0589314.0 [0,2,0,0,0,0|0,0,1]=3 343 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C CNP0496216.0 [0,2,0,0,0,0|0,0,0]=2 344 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O CNP0602347.0 [0,2,0,0,0,0|0,0,0]=2 345 B16R0.224 CCCCCCCCCCCC[C@@H](O)C(=O)O CNP0115920.2 [0,2,0,0,0,0|0,0,0]=2 346 B16R0.224 CCCCCCCCCCCC[C@H](O)C(=O)O CNP0115920.1 [0,2,0,0,0,0|0,0,0]=2 347 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)O CNP0531578.0 [0,2,0,0,0,0|0,0,1]=3 348 B16R0.114 CCCCCCCC(O)CCCCCC(=O)O CNP0296318.0 [0,2,0,0,0,0|0,0,0]=2 349 B16R0.114 CCCCCCC[C@H](O)C/C=C/CCC(=O)O CNP0153280.1 [0,2,0,0,0,0|0,0,2]=4 350 B16R0.177 CCCCC=CC(C)CCCCCCC(=O)O CNP0333080.0 [0,2,0,0,0,0|0,0,2]=4 351 B16R0.185 CCCCCC[C@H](C)CCC[C@H](C)CCCC CNP0308309.1 [0,2,0,0,0,0|1,0,1]=4 352 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O CNP0241941.0 [0,2,0,0,0,0|0,0,1]=3 353 B16R0.1820 CCCCCCCC[C@H](O)CCCCC(=O)O CNP0378358.1 [0,2,0,0,0,0|0,0,0]=2 354 B16R0.6401 CCCCCCCC[C@H](CO)CCCCCC CNP0081397.1 [0,2,0,0,0,0|1,0,1]=4 355 B16R0.41 CCC[C@H](C)CCCCCCCCCC(=O)O CNP0018298.1 [0,2,0,0,0,0|0,0,0]=2 356 B16R0.41 CCC[C@H](O)CCCCCCCCCC(=O)O CNP0244528.1 [0,2,0,0,0,0|0,0,0]=2 357 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O CNP0106804.0 [0,2,0,0,0,0|0,0,0]=2 358 B16R0.297 CCCCCCCCCC(=CCCC(=O)O)C CNP0103835.0 [0,2,0,0,0,0|0,0,2]=4 359 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)O CNP0069770.0 [0,2,0,0,0,0|0,0,1]=3 360 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CNP0114637.1 [0,2,0,0,0,0|0,0,0]=2 361 B16R0.302 CCCCCCCCCCC[C@H](C)OC(=O)C CNP0269231.1 [0,2,0,0,0,0|1,0,0]=3 362 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)C CNP0427680.1 [0,2,0,0,0,0|0,0,0]=2 363 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)O CNP0114637.2 [0,2,0,0,0,0|0,0,0]=2 364 B16R0.1188 CC(C)(C)CCCCCCCCCCCCS CNP0454370.0 [0,2,0,0,0,0|0,1,1]=4 365 B16R0.1188 CCCCCCCCCCCCCC(C)(C)S CNP0262577.0 [0,2,0,0,0,0|0,1,1]=4 366 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0020932.0 [0,2,0,0,0,0|2,0,0]=4 367 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0515848.0 [0,2,0,0,0,0|2,0,0]=4 368 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] CNP0485395.0 [0,2,0,0,0,0|2,0,0]=4 369 B16R0.1188 NCCCCCCCCCCCCP(=O)(O)O CNP0481879.0 [0,2,0,0,0,0|2,0,0]=4 370 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O CNP0135234.0 [0,2,0,0,0,0|1,0,1]=4 371 B16R0.3288 CC(=O)CCCCCC=CCCCCC(C)C CNP0342925.0 [0,2,0,0,0,0|0,0,2]=4 372 B16R0.3288 CC(=O)CCCCCCCC=CCCC(C)C CNP0353145.0 [0,2,0,0,0,0|0,0,2]=4 373 B16R0.3288 CC(C)CCC=CCCCCCCCC(=O)O CNP0018737.0 [0,2,0,0,0,0|0,0,2]=4 374 B16R0.3288 CC(C)CCCCC=CCCCCCC(=O)O CNP0017541.0 [0,2,0,0,0,0|0,0,2]=4 375 B16R0.3288 CC(C)CCCCCCCC=CCCC(=O)O CNP0018516.0 [0,2,0,0,0,0|0,0,2]=4 376 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)N CNP0072512.0 [0,2,0,0,0,0|0,0,0]=2 377 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O CNP0240509.0 [0,2,0,0,0,0|0,0,0]=2 378 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O CNP0081935.0 [0,2,0,0,0,0|0,0,0]=2 379 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O CNP0346637.0 [0,2,0,0,0,0|1,0,1]=4 380 B16R0.1685 CCCCC[C@H](O)CCCC[C@H](O)CCCC CNP0364522.1 [0,2,0,0,0,0|1,0,1]=4 381 B14R1.123 CCCCCCCCC1CCCCC1 CNP0354404.0 [1,0,0,1,0,0|0,0,1]=3 382 B14R1.138 CCCCCCN1CCCCCC1=O CNP0044341.0 [1,0,0,1,0,0|1,0,0]=3 383 B14R1.216 CCCCCC=CCC1CCCC1=O CNP0180932.0 [1,0,0,1,0,0|0,0,2]=4 384 B14R1.247 C[C@@H]1CCCCCCCCCCC1=O CNP0376141.1 [1,0,0,1,0,0|0,0,0]=2 385 B14R1.247 C[C@H]1CCCCCCCCCCC1=O CNP0376141.2 [1,0,0,1,0,0|0,0,0]=2 386 B14R1.904 CCCC1CCCCC1CCCOC CNP0433257.0 [1,0,0,1,0,0|1,0,1]=4 387 B14R1.2874 C1CCCCCCCCCCCCC1 CNP0320476.0 [1,0,0,1,0,0|0,0,1]=3 388 B14R1.4408 O=C1CCCCCCCCCCCO1 CNP0320182.0 [1,0,0,1,0,0|1,0,0]=3 389 B16R1.402 C[C@H]1CCCCCCCCCCCOC1=O CNP0258710.1 [0,1,0,1,0,0|0,0,0]=2 390 B16R1.402 O=C1CCCCCCCCCCCCC1=O CNP0584718.0 [0,1,0,1,0,0|0,0,1]=3 391 B16R1.643 CCCCCCCCCCC1CCCCC1 CNP0348747.0 [0,1,0,1,0,0|1,0,1]=4 392 B16R1.662 CCCCCCCCN1CCCCCC1=O CNP0047392.0 [0,1,0,1,0,0|0,0,0]=2 393 B16R1.1193 CCCCCCCCCCCC1CCCC1 CNP0550028.0 [0,1,0,1,0,0|1,0,1]=4 394 B16R1.1193 CCCCCCCCCCCC1CCCS1 CNP0032675.0 [0,1,0,1,0,0|0,1,1]=4 395 B16R1.1218 CCCCCCCCCC1CCCOC1=O CNP0002797.0 [0,1,0,1,0,0|0,0,0]=2 396 B16R1.2908 C1CCCCCCCCCCCCCCC1 CNP0299890.0 [0,1,0,1,0,0|1,0,1]=4 397 B16R1.6680 CCCCCCCCCCN1CCCC1=O CNP0534295.0 [0,1,0,1,0,0|0,0,0]=2 398 B16R1.8816 O=C1CCCC=CCCCCCCCCC1 CNP0316245.0 [0,1,0,1,0,0|0,0,1]=3 399 B16R1.8816 O=C1CCCC=CCCCCCCCCO1 CNP0260386.0 [0,1,0,1,0,0|0,0,2]=4 400 B16R1.8816 O=C1CCCCCCCCCCCCCC1 CNP0222423.0 [0,1,0,1,0,0|0,0,0]=2 401 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [0,1,0,1,0,0|0,0,0]=2 402 B16R1.8816 O=C1CCCCCCCCCCOCCO1 CNP0127605.0 [0,1,0,1,0,0|1,0,0]=3 403 B16R1.8816 OC1CCCCCCCCCCCCCC1 CNP0139630.0 [0,1,0,1,0,0|0,0,2]=4 404 B16R1.8816 O[C@@H]1CCC/C=C\CCCCCCCCC1 CNP0168182.1 [0,1,0,1,0,0|1,0,0]=3 405 B16R1.642 CCCCCCCC/C=C\[C@H]1CCC(=O)O1 CNP0271665.1 [0,1,0,1,0,0|0,0,2]=4 406 B16R1.642 CCCCCCCCCC[C@@H]1CCC(=O)O1 CNP0302354.1 [0,1,0,1,0,0|0,0,0]=2 407 B16R1.8841 CC1CCCCCCCCCCC(=O)OC1 CNP0156010.0 [0,1,0,1,0,0|1,0,0]=3 408 B16R1.8841 C[C@@H]1CCCCCCCCCCC(=O)OC1 CNP0156010.1 [0,1,0,1,0,0|1,0,0]=3 409 B16R1.78622 CCCCCC[C@H]1CCCCC[C@H](O1)CC CNP0430060.1 [0,1,0,1,0,0|1,0,1]=4 410 B16R1.5021 CCCCCCC[C@@H]1CC[C@H](N1)CCCC CNP0377204.2 [0,1,0,1,0,0|1,0,1]=4 411 B16R1.5021 CCCCCCC[C@H]1CC[C@@H](N1)CCCC CNP0377204.1 [0,1,0,1,0,0|1,0,1]=4 412 B16R1.64 CCCCCCCC[C@H](C)C1CCCCC1 CNP0289276.1 [0,1,0,1,0,0|1,0,1]=4 413 B16R1.246 C=CCCCCC1CCC(N1)CCCCC CNP0111230.0 [0,1,0,1,0,0|1,0,0]=3 414 B16R1.246 CCCCCC[C@@H]1CC[C@@H](N1)CCCCC CNP0192756.1 [0,1,0,1,0,0|1,0,1]=4 415 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 CNP0142097.0 [0,1,0,1,0,0|0,0,0]=2 416 B16R1.27 CCCCCCCCC[C@@H]1CC=CC(=O)O1 CNP0272113.1 [0,1,0,1,0,0|0,0,2]=4 417 B16R1.27 CCCCCCCCC[C@@H]1CCC[C@@H](N1)C CNP0301537.1 [0,1,0,1,0,0|1,0,1]=4 418 B16R1.1275 O=C(O)CCCCCCCC[C@@H]1C=CCC1 CNP0355956.2 [0,1,0,1,0,0|0,0,2]=4 419 B16R1.1275 O=C(O)CCCCCCCC[C@H]1C=CCC1 CNP0355956.1 [0,1,0,1,0,0|0,0,2]=4 420 B16R1.8780 CC1CCCCCCCCCCCC(=O)C1 CNP0086318.0 [0,1,0,1,0,0|0,0,0]=2 421 B16R1.8780 C[C@@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.1 [0,1,0,1,0,0|0,0,2]=4 422 B16R1.8780 C[C@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.2 [0,1,0,1,0,0|0,0,2]=4 423 B16R1.8780 C[C@H]1CCCCCCCCCCCC(=O)O1 CNP0261950.1 [0,1,0,1,0,0|0,0,0]=2 424 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 CNP0299537.0 [0,1,0,1,0,0|0,0,0]=2 425 B16R1.1409 C=CCCC[C@@H]1CCC[C@@H](N1)CCCCC CNP0296654.2 [0,1,0,1,0,0|1,0,0]=3 426 B16R1.1409 C=CCCC[C@@H]1CCC[C@H](N1)CCCCC CNP0296654.1 [0,1,0,1,0,0|1,0,0]=3 427 B16R1.4695 CCCCCCCCCC1CC(=O)OC1=O CNP0203615.0 [0,1,0,1,0,0|1,0,1]=4 428 B16R2.5337 C1CCCCC[C@@H]2COC[C@H]2CCCC1 CNP0331526.3 [0,0,0,2,0,0|0,0,2]=4 429 B16R2.5337 C1CCCCC[C@H]2COC[C@@H]2CCCC1 CNP0331526.2 [0,0,0,2,0,0|0,0,2]=4 430 B16R2.5337 C1CCCCC[C@H]2COC[C@H]2CCCC1 CNP0331526.1 [0,0,0,2,0,0|0,0,2]=4 431 B16R2.5337 C\1=C/[C@@H]2COC[C@H]2CCCCCCCC1 CNP0309271.2 [0,0,0,2,0,0|2,0,0]=4 432 B16R2.5337 C\1=C/[C@H]2COC[C@@H]2CCCCCCCC1 CNP0309271.1 [0,0,0,2,0,0|2,0,0]=4 433 B16R2.5337 C\1=C/[C@H]2COC[C@H]2CCCCCCCC1 CNP0309271.4 [0,0,0,2,0,0|2,0,0]=4 434 B16R2.5337 C\1=C\[C@H]2COC[C@@H]2CCCCCCCC1 CNP0309271.3 [0,0,0,2,0,0|2,0,0]=4 435 B16R2.5337 C\1=C\[C@H]2COC[C@H]2CCCCCCCC1 CNP0309271.5 [0,0,0,2,0,0|2,0,0]=4