0 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.2 CCCC#CC#CC(=O)C CNP0119755.0 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.2 CCCC=CC#CC(=O)N CNP0372311.0 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,0,0,0,0,0|0,0,0]=0 13 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,0,0,0,0|1,0,3]=4 16 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,0,0,0,0|0,0,2]=2 27 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|1,0,2]=4 29 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,0,0,0,0|1,0,2]=4 30 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,0,0,0,0,0|0,0,2]=3 31 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,0,0,0,0|1,0,1]=3 32 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.4 CCCC=CCOC=O CNP0131807.0 [1,0,0,0,0,0|0,0,0]=1 35 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,0,0,0,0,0|0,0,2]=3 38 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|1,0,2]=4 39 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|1,0,2]=4 40 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|0,0,2]=3 41 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|0,0,3]=4 42 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,0,0,0,0,0|0,0,3]=4 43 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,0,0,0,0|0,0,2]=3 46 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,0,0,0,0|1,0,0]=2 48 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|0,0,2]=3 55 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|1,0,2]=4 57 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,0,0,0,0|0,0,1]=2 59 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|1,0,1]=3 61 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,0,0,0,0,0|1,0,1]=3 62 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,0,0,0,0,0|1,0,1]=3 63 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,1,0,0,0,0|3,0,0]=4 64 B10R0.3 CC(=CCC=C(C)CCO)C CNP0086431.0 [0,1,0,0,0,0|3,0,0]=4 65 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,0,0,0,0|0,0,2]=3 67 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,0|2,0,1]=4 68 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|1,0,2]=4 69 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,0,0,0,0|1,0,0]=2 70 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,1,0,0,0,0|0,0,0]=1 71 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,1,0,0,0,0|2,0,1]=4 72 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,1,0,0,0,0|0,0,0]=1 73 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,1,0,0,0,0|0,0,2]=3 74 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|1,0,2]=4 75 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,0,0,0,0|1,0,2]=4 76 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,0,0,0,0|0,0,2]=3 77 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,0,0,0,0|0,0,2]=3 78 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,0|0,0,2]=3 79 B10R0.55 CC(=O)CCC=CC(O)CO CNP0071799.0 [0,1,0,0,0,0|2,0,0]=3 80 B10R0.55 CCC(=O)C=CCC=C(C)C CNP0093089.0 [0,1,0,0,0,0|2,0,1]=4 81 B10R0.55 CC[C@H](C)/C=C/C=C/C(=O)O CNP0204010.1 [0,1,0,0,0,0|2,0,1]=4 82 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,1,0,0,0,0|1,0,2]=4 83 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,0,0,0,0|1,0,2]=4 84 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,1,0,0,0,0|0,0,2]=3 85 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,1,0,0,0,0|1,0,0]=2 86 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,1,0,0,0,0|0,0,0]=1 87 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|1,0,2]=4 88 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,0,0,0,0|1,0,2]=4 89 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,0,0,0,0|1,0,2]=4 90 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,0,0,0,0|0,0,2]=3 91 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [0,1,0,0,0,0|1,0,2]=4 92 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,1,0,0,0,0|2,0,0]=3 93 B10R0.78 COCC=C(C)COC(=O)C CNP0326991.0 [0,1,0,0,0,0|1,0,0]=2 94 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,0,0,0,0|1,0,2]=4 95 B10R0.97 CC(C)CC=CC=CC(=O)N CNP0168929.0 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,0,0,1,0,0|0,0,2]=3 97 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,0,0,1,0,0|2,0,1]=4 98 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,0,0,1,0,0|2,0,1]=4 99 B10R1.16 CCCCC1=COC(=N1)C CNP0415020.0 [0,0,0,1,0,0|1,0,2]=4 100 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,1,0,0|0,0,2]=3 101 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,0,1,0,0|2,0,1]=4 102 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,1,0,0|0,0,2]=3 104 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [0,0,0,1,0,0|2,0,1]=4 105 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,1,0,0|1,0,2]=4 107 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,0,0,1,0,0|1,0,1]=3 108 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,0,0,1,0,0|1,0,1]=3 109 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,0,0,1,0,0|2,0,1]=4 110 B10R1.66 O=C(O)CNC1=CCCC1 CNP0531504.0 [0,0,0,1,0,0|3,0,0]=4 111 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|1,0,0]=2 112 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|1,0,2]=4 113 B7R0.1 CC=CC=CCCC CNP0275494.0 [2,0,0,0,0,0|0,0,1]=3 114 B7R0.1 CC=CCC=CCO CNP0168622.0 [2,0,0,0,0,0|2,0,0]=4 115 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.1 CC=CCSCCC CNP0536250.0 [2,0,0,0,0,0|2,0,0]=4 117 B7R0.1 CCC=CC=CC=O CNP0276667.0 [2,0,0,0,0,0|0,0,2]=4 118 B7R0.1 CCC=CCCC=O CNP0265888.0 [2,0,0,0,0,0|1,0,0]=3 119 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|1,0,1]=4 120 B7R0.1 CCCC=CC=CO CNP0524724.0 [2,0,0,0,0,0|0,0,2]=4 121 B7R0.1 CCCC=CCC=O CNP0201799.0 [2,0,0,0,0,0|0,0,0]=2 122 B7R0.1 CCCC=CCCC CNP0541880.0 [2,0,0,0,0,0|0,0,1]=3 123 B7R0.1 CCCC=CCCO CNP0287313.0 [2,0,0,0,0,0|0,0,2]=4 124 B7R0.1 CCCCC=CC=O CNP0210810.0 [2,0,0,0,0,0|0,0,2]=4 125 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,2]=4 126 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|0,0,1]=3 127 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|0,0,2]=4 128 B7R0.1 CCCCCON=O CNP0511882.0 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.4 CC(=O)OCCCS CNP0325111.0 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|0,0,2]=4 132 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|0,0,2]=4 133 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|0,0,2]=4 134 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [2,0,0,0,0,0|0,0,2]=4 135 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|0,0,0]=2 137 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|0,0,0]=2 139 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,1]=3 141 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,1]=4 142 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|1,0,1]=4 143 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|0,0,0]=2 145 B7R0.4 CCCSOC(=O)C CNP0411356.0 [2,0,0,0,0,0|1,0,0]=3 146 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,1]=4 147 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|1,0,1]=4 148 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|1,0,0]=3 149 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [1,1,0,0,0,0|1,0,1]=4 150 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,1,0,0,0,0|1,0,1]=4 151 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,1,0,0,0,0|1,0,1]=4 152 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [1,1,0,0,0,0|0,0,2]=4 153 B9R0.45 CCC=CCC=CCCO CNP0184621.0 [1,1,0,0,0,0|2,0,0]=4 154 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,1,0,0,0,0|1,0,1]=4 155 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [1,1,0,0,0,0|1,0,1]=4 156 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,1,0,0,0,0|1,0,0]=3 157 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,1,0,0,0,0|0,0,2]=4 158 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [1,1,0,0,0,0|2,0,0]=4 159 B9R0.1 CC(=O)OCC=C(C)CO CNP0248303.0 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [1,1,0,0,0,0|1,0,1]=4 161 B9R0.1 CC[C@@H](C)/C=C/C=C(C)C CNP0154756.1 [1,1,0,0,0,0|1,0,1]=4 162 B9R0.1 CC[C@@H](C)/C=C\C=C(C)C CNP0154756.2 [1,1,0,0,0,0|1,0,1]=4 163 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|0,0,1]=3 164 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,1,0,0,0,0|0,0,1]=3 165 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [1,1,0,0,0,0|2,0,0]=4 166 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|1,0,1]=4 168 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,1,0,0,0,0|0,0,2]=4 169 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [1,1,0,0,0,0|2,0,0]=4 170 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|0,0,1]=3 171 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [1,1,0,0,0,0|0,0,0]=2 172 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [1,1,0,0,0,0|2,0,0]=4 173 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,1,0,0,0,0|0,0,2]=4 174 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,1,0,0,0,0|1,0,1]=4 175 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [1,1,0,0,0,0|0,0,2]=4 177 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,1,0,0,0,0|0,0,2]=4 178 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [1,1,0,0,0,0|0,0,0]=2 179 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [1,1,0,0,0,0|2,0,0]=4 180 B11R0.6 CC(=O)OC(C)CCCC(C)C CNP0003322.0 [0,2,0,0,0,0|0,0,2]=4 181 B11R0.45 CCCC(CCOC(=O)C)SC CNP0003227.0 [0,2,0,0,0,0|0,0,2]=4 182 B11R0.59 CCOC(=O)C(=COC(=O)C)C CNP0055976.0 [0,2,0,0,0,0|1,0,1]=4 183 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,2,0,0,0,0|0,0,2]=4 184 B11R0.2 CCC/C=C\C[C@@H](N)CC(=O)O CNP0252157.2 [0,2,0,0,0,0|2,0,0]=4 185 B11R0.2 CCC/C=C\C[C@H](N)CC(=O)O CNP0252157.1 [0,2,0,0,0,0|2,0,0]=4 186 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [0,2,0,0,0,0|0,0,2]=4 187 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,2,0,0,0,0|0,0,2]=4 188 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,2,0,0,0,0|1,0,0]=3 189 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,2,0,0,0,0|0,0,2]=4 190 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [0,2,0,0,0,0|2,0,0]=4 191 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [0,2,0,0,0,0|2,0,0]=4 192 B11R0.42 CCC=CCCOC(=O)C(=O)C CNP0380462.0 [0,2,0,0,0,0|0,0,2]=4 193 B11R0.42 CCC=CCCOC(=O)C(C)C CNP0128799.0 [0,2,0,0,0,0|0,0,2]=4 194 B11R0.42 CCC=CCCOC(=O)C(C)O CNP0342153.0 [0,2,0,0,0,0|0,0,2]=4 195 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,2,0,0,0,0|0,0,2]=4 196 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|1,0,1]=4 197 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,2,0,0,0,0|1,0,1]=4 198 B11R0.148 C=CCCCC=CCOC(=O)C CNP0076931.0 [0,2,0,0,0,0|0,0,0]=2 199 B11R0.148 CC(=O)OCC=C=CC#CCCl CNP0156312.0 [0,2,0,0,0,0|0,0,2]=4 200 B11R0.148 CC=CCCC=CCCC(=O)O CNP0199986.0 [0,2,0,0,0,0|2,0,0]=4 201 B11R0.148 CCC=CC=CCCOC(=O)C CNP0192292.0 [0,2,0,0,0,0|0,0,1]=3 202 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,2,0,0,0,0|0,0,2]=4 203 B11R0.148 CCCC=CC=CCOC(=O)C CNP0312132.0 [0,2,0,0,0,0|0,0,0]=2 204 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,2,0,0,0,0|1,0,0]=3 205 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,2,0,0,0,0|2,0,0]=4 206 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,2,0,0,0,0|2,0,0]=4 207 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [0,2,0,0,0,0|0,0,0]=2 208 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,2,0,0,0,0|1,0,0]=3 209 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,2,0,0,0,0|2,0,0]=4 210 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,2,0,0,0,0|0,0,0]=2 211 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,2,0,0,0,0|0,0,2]=4 212 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,2,0,0,0,0|0,0,2]=4 213 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,2,0,0,0,0|0,0,2]=4 214 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,2,0,0,0,0|0,0,2]=4 215 B11R0.176 CC(=O)OCCCC(=O)CCO CNP0357221.0 [0,2,0,0,0,0|1,0,1]=4 216 B11R0.77 C=C[C@@H](CCCCC)OC(=O)C CNP0392840.2 [0,2,0,0,0,0|0,0,2]=4 217 B11R0.77 C=C[C@H](CCCCC)OC(=O)C CNP0392840.1 [0,2,0,0,0,0|0,0,2]=4 218 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,2,0,0,0,0|0,0,2]=4 219 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,2,0,0,0,0|0,0,2]=4 220 B11R0.77 COCC=CC(OC)OC(=O)C CNP0521197.0 [0,2,0,0,0,0|1,0,0]=3 221 B11R0.106 CC[C@H](C)/C=C/C=C/C(=O)OC CNP0069809.1 [0,2,0,0,0,0|1,0,1]=4 222 B11R0.4 CC=CC(=O)OCCC=CCC CNP0265278.0 [0,2,0,0,0,0|0,0,2]=4 223 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,2,0,0,0,0|0,0,2]=4 224 B11R0.4 CC=CC=CCOC(=O)CCC CNP0328344.0 [0,2,0,0,0,0|0,0,2]=4 225 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,2,0,0,0,0|0,0,2]=4 226 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [0,2,0,0,0,0|1,0,0]=3 227 B11R0.4 CCCC=CCOC(=O)CCC CNP0260808.0 [0,2,0,0,0,0|0,0,0]=2 228 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,2,0,0,0,0|0,0,2]=4 229 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [0,2,0,0,0,0|1,0,1]=4 230 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [0,2,0,0,0,0|0,0,2]=4 231 B11R0.164 CCCC[C@H](CC)COC(=O)C CNP0084871.1 [0,2,0,0,0,0|0,0,2]=4 232 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|0,0,2]=4 233 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [1,0,0,1,0,0|1,0,1]=4 234 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,1,0,0|0,0,2]=4 235 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,1,0,0|1,0,1]=4 236 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [1,0,0,1,0,0|0,0,2]=4 237 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|0,0,2]=4 238 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,1,0,0|1,0,1]=4 239 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [1,0,0,1,0,0|2,0,0]=4 240 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [1,0,0,1,0,0|0,0,2]=4 242 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [1,0,0,1,0,0|1,0,1]=4 243 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [1,0,0,1,0,0|1,0,0]=3 244 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [1,0,0,1,0,0|1,0,1]=4 245 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,1,0,0|1,0,1]=4 246 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,1,0,0|1,0,1]=4 247 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [1,0,0,1,0,0|1,0,1]=4 248 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [1,0,0,1,0,0|0,0,2]=4 251 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|0,0,2]=4 252 B11R1.15 O=C1C[C@@H](CO1)C(=O)CCO CNP0159390.1 [0,1,0,1,0,0|1,0,1]=4 253 B11R1.157 CC(=O)C[C@H]1CCCC(=N1)C CNP0260516.1 [0,1,0,1,0,0|2,0,0]=4 254 B11R1.157 CC(=O)NC1=CC(=O)CCC1 CNP0181658.0 [0,1,0,1,0,0|1,0,1]=4 255 B11R1.157 CC(=O)OC1=CC(=O)CCC1 CNP0126229.0 [0,1,0,1,0,0|0,0,1]=3 256 B11R1.157 CC(=O)O[C@@H]1CCC[C@@H](C1)C CNP0286478.1 [0,1,0,1,0,0|0,0,2]=4 257 B11R1.157 CC(=O)O[C@@H]1CCC[C@H](C1)C CNP0286478.3 [0,1,0,1,0,0|0,0,2]=4 258 B11R1.157 CC(=O)O[C@H]1CCC[C@H](C1)C CNP0286478.2 [0,1,0,1,0,0|0,0,2]=4 259 B11R1.166 CC1=CCC(C(C1)C)C(=O)O CNP0603157.0 [0,1,0,1,0,0|2,0,0]=4 260 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,1,0,1,0,0|0,0,2]=4 261 B11R1.27 CCCC=CC1OCC(O1)C CNP0003194.0 [0,1,0,1,0,0|0,0,2]=4 262 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,1,0,0|0,0,2]=4 263 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,1,0,0|0,0,2]=4 264 B11R1.86 CC(=O)N[C@H]1CCCNC1=O CNP0139994.1 [0,1,0,1,0,0|2,0,0]=4 265 B11R1.86 CC(=O)O[C@@H]1CCCC=C1C CNP0153572.1 [0,1,0,1,0,0|0,0,0]=2 266 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,1,0,1,0,0|0,0,2]=4 267 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,1,0,1,0,0|2,0,0]=4 268 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,1,0,1,0,0|2,0,0]=4 269 B11R1.43 CCC1=CC=C(O1)OC(=O)C CNP0609792.0 [0,1,0,1,0,0|0,0,2]=4 270 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [0,1,0,1,0,0|0,0,2]=4 271 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,1,0,1,0,0|0,0,2]=4 272 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,1,0,1,0,0|0,0,2]=4 273 B11R1.25 CCC(=O)OC[C@@H]1CCCO1 CNP0217025.1 [0,1,0,1,0,0|1,0,1]=4 274 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,1,0,1,0,0|0,0,2]=4 275 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [0,1,0,1,0,0|1,0,1]=4 276 B11R1.40 COC(=O)CC1C=CCCC1 CNP0380005.0 [0,1,0,1,0,0|1,0,0]=3 277 B11R1.495 CC(=O)N[C@@H]1C(=O)OC[C@@H]1C CNP0171296.2 [0,1,0,1,0,0|2,0,0]=4 278 B11R1.495 CC(=O)N[C@H]1C(=O)OC[C@H]1C CNP0171296.1 [0,1,0,1,0,0|2,0,0]=4 279 B11R1.495 CC(=O)N[C@H]1C(=O)SC[C@H]1C CNP0584919.1 [0,1,0,1,0,0|2,0,0]=4 280 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|0,0,2]=4 281 B11R2.508 CC1(O[C@@H]2C=C[C@H]1CC2)C CNP0076963.1 [0,0,0,2,0,0|1,0,1]=4