0 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.24 CSCC[C@H]1CCNC(=S)O1 CNP0184861.1 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [1,0,0,0,0,0|0,0,0]=1 4 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [1,0,0,0,0,0|0,0,2]=3 5 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.10 CCO[C@@H]1CSCC(=O)N1 CNP0053864.1 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.10 CCO[C@H]1CSCC(=O)N1 CNP0053864.2 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.17 CCCCC1=NCCCC1 CNP0257195.0 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.17 CCCCN1CCCCC1 CNP0144068.0 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.28 CC/C=C/C[C@@H]1CCCC(=O)O1 CNP0270021.2 [0,1,0,0,0,0|0,0,1]=2 19 B12R1.28 CC/C=C\C[C@@H]1CC=CC(=O)O1 CNP0304703.1 [0,1,0,0,0,0|0,0,3]=4 20 B12R1.28 CC/C=C\C[C@H]1CCCC(=O)O1 CNP0270021.1 [0,1,0,0,0,0|0,0,1]=2 21 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,1,0,0,0,0|0,0,2]=3 24 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,0,0,0|1,0,2]=4 26 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,1,0,0,0,0|0,0,0]=1 27 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,0,1,0,0,0|0,0,2]=3 28 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,0,1,0,0,0|2,0,0]=3 29 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,0,1,0,0,0|2,0,0]=3 30 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,0,1,0,0,0|1,0,0]=2 31 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,0,1,0,0,0|0,0,2]=3 32 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,0,1,0,0,0|2,0,1]=4 33 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,0,1,0,0,0|2,0,0]=3 34 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,0,1,0,0,0|2,0,0]=3 35 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,0,1,0,0,0|1,0,2]=4 36 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [0,0,1,0,0,0|2,0,1]=4 37 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,0,1,0,0,0|0,0,0]=1 38 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,0,1,0,0,0|2,0,1]=4 39 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,0,1,0,0,0|3,0,0]=4 40 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,0,1,0,0,0|0,0,2]=3 41 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,0,1,0,0,0|1,0,2]=4 42 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,0,1,0,0,0|0,0,2]=3 43 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,0,1,0,0,0|2,0,0]=3 44 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,0,1,0,0,0|1,0,2]=4 45 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,0,1,0,0,0|0,0,2]=3 46 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,0,1,0,0,0|1,0,2]=4 47 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,0,1,0,0,0|0,0,2]=3 48 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,0,1,0,0,0|1,0,2]=4 49 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,0,1,0,0,0|0,0,2]=3 50 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,0,1,0,0,0|1,0,2]=4 51 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,0,1,0,0,0|1,0,2]=4 52 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,0,1,0,0,0|1,0,2]=4 53 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,0,1,0,0,0|0,0,2]=3 54 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,0,1,0,0,0|1,0,0]=2 55 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,0,1,0,0,0|1,0,0]=2 56 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,0,1,0,0,0|1,0,0]=2 57 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,0,1,0,0,0|0,0,0]=1 58 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,0,1,0,0,0|2,0,1]=4 59 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,0,1,0,0,0|1,0,1]=3 60 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,0,1,0,0,0|1,0,1]=3 61 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [0,0,1,0,0,0|2,0,1]=4 62 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [0,0,1,0,0,0|2,0,1]=4 63 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,0,1,0,0,0|2,0,0]=3 64 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,0,1,0,0,0|3,0,0]=4 65 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,0,1,0,0,0|1,0,0]=2 66 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,0,1,0,0,0|2,0,0]=3 67 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,0,1,0,0,0|2,0,0]=3 68 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,0,1,0,0,0|1,0,0]=2 69 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,0,1,0,0,0|1,0,0]=2 70 B10R0.87 CCCCC(CC)CN(C)C CNP0554123.0 [0,0,1,0,0,0|3,0,0]=4 71 B10R0.90 CCCCC(OCC)OCC CNP0384522.0 [0,0,1,0,0,0|2,0,1]=4 72 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [0,0,1,0,0,0|2,0,1]=4 73 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [0,0,1,0,0,0|2,0,1]=4 74 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [0,0,1,0,0,0|1,0,0]=2 75 B12R2.24 CC1CCC2CCCCC2C1 CNP0076199.0 [0,0,0,1,0,0|2,0,1]=4 76 B12R2.24 CN1CC[C@@H]2CCCC[C@H]2C1 CNP0420807.1 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,1,0,0|1,0,1]=3 78 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,1,0,0|0,0,0]=1 79 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,0,0,1,0,0|2,0,0]=3 80 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,0,0,1,0,0|2,0,0]=3 81 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,1,0,0|0,0,0]=1 82 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,1,0,0|0,0,0]=1 83 B12R2.203 C[C@@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.1 [0,0,0,1,0,0|2,0,0]=3 84 B12R2.203 C[C@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.2 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.612 CC1=CC2COC(C2CC1)C CNP0002456.0 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.612 CC1=C[C@@H]2OC[C@H]([C@@H]2CC1)C CNP0239881.2 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.612 CC1=C[C@H]2OC[C@@H]([C@H]2CC1)C CNP0239881.1 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.612 CC1=C[C@H]2OC[C@H]([C@@H]2CC1)C CNP0239881.3 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.612 C[C@@H]1CC[C@H]2[C@@H]1COC(=O)C2 CNP0210998.1 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.1020 O=C1CC2CCOCC(C1)N2 CNP0157111.0 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.1081 CC1CCCC2C1CCCC2 CNP0271648.0 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.1081 N[C@H]1CCC[C@H]2[C@@H]1CCCC2 CNP0128742.1 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.5121 C[C@@H]1CCC[C@@]2(O1)CCCO2 CNP0276837.2 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.5121 C[C@@H]1CCC[C@]2(O1)CCCO2 CNP0276837.1 [0,0,0,1,0,0|2,0,1]=4 95 B12R2.5121 C[C@H]1CCC[C@]2(O1)CCCO2 CNP0276837.3 [0,0,0,1,0,0|2,0,1]=4 96 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,0,0,0,1,0|0,0,2]=3 97 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,0,1,0|2,0,0]=3 98 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,0,0,1,0|0,0,0]=1 99 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,0,0,1,0|0,0,0]=1 100 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [0,0,0,0,1,0|2,0,1]=4 101 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,0,0,0,1,0|2,0,0]=3 102 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,0,0,0,1,0|1,0,2]=4 103 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,0,0,0,1,0|1,0,0]=2 104 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,0,0,0,0,1|0,0,0]=1 105 B12R1.348 CCCC[C@H]1C=CC(=O)C=CC1 CNP0431580.1 [0,0,0,0,0,1|1,0,2]=4 106 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,0,1,0,0,0|0,0,2]=4 107 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,0,1,0,0,0|0,0,2]=4 108 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,0,1,0,0,0|0,0,2]=4 109 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,0,1,0,0,0|0,0,2]=4 110 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,0,1,0,0,0|0,0,2]=4 111 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,0,1,0,0,0|0,0,0]=2 112 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,0,1,0,0,0|1,0,0]=3 113 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,0,1,0,0,0|1,0,0]=3 114 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,0,1,0,0,0|1,0,1]=4 115 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [1,0,1,0,0,0|0,0,2]=4 116 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [1,0,1,0,0,0|0,0,0]=2 117 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,0,1,0,0,0|2,0,0]=4 118 B9R0.45 C#CCCCCCCCC CNP0272182.0 [1,0,1,0,0,0|1,0,1]=4 119 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,0,1,0,0,0|1,0,0]=3 120 B9R0.45 C=CCCCCCCCO CNP0326407.0 [1,0,1,0,0,0|2,0,0]=4 121 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,0,1,0,0,0|0,0,2]=4 122 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,1,0,0,0|1,0,1]=4 123 B9R0.45 CCCC#CCCCCC CNP0576219.0 [1,0,1,0,0,0|1,0,1]=4 124 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,0,1,0,0,0|1,0,0]=3 125 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,0,1,0,0,0|0,0,2]=4 126 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,0,1,0,0,0|0,0,2]=4 127 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,0,1,0,0,0|2,0,0]=4 128 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,1,0,0,0|0,0,2]=4 129 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,0,1,0,0,0|0,0,2]=4 130 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,0,1,0,0,0|0,0,1]=3 131 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,0,1,0,0,0|1,0,1]=4 132 B9R0.45 CCCCCCCCC#N CNP0309769.0 [1,0,1,0,0,0|1,0,1]=4 133 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,0,1,0,0,0|0,0,0]=2 134 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,0,1,0,0,0|1,0,1]=4 135 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,0,1,0,0,0|1,0,1]=4 136 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,0,1,0,0,0|0,0,1]=3 137 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,0,1,0,0,0|2,0,0]=4 138 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,0,1,0,0,0|1,0,0]=3 139 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,0,1,0,0,0|1,0,0]=3 140 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,0,1,0,0,0|2,0,0]=4 141 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,0,1,0,0,0|0,0,1]=3 142 B9R0.45 CCCCOCCCCO CNP0571704.0 [1,0,1,0,0,0|1,0,1]=4 143 B9R0.45 NCCCNCCCC=O CNP0100864.0 [1,0,1,0,0,0|2,0,0]=4 144 B9R0.45 OCCCCCCCCO CNP0076363.0 [1,0,1,0,0,0|1,0,1]=4 145 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,0,1,0,0,0|1,0,0]=3 146 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,0,1,0,0,0|2,0,0]=4 147 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,0,1,0,0,0|0,0,0]=2 148 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [1,0,1,0,0,0|2,0,0]=4 149 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,0,1,0,0,0|2,0,0]=4 150 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [1,0,1,0,0,0|0,0,2]=4 151 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [1,0,1,0,0,0|0,0,2]=4 152 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [1,0,1,0,0,0|0,0,2]=4 153 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [1,0,1,0,0,0|0,0,2]=4 154 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,0,1,0,0,0|1,0,0]=3 155 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,0,1,0,0,0|1,0,0]=3 156 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,0,1,0,0,0|1,0,0]=3 157 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,0,1,0,0,0|0,0,0]=2 158 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,0,1,0,0,0|0,0,1]=3 159 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,0,1,0,0,0|0,0,1]=3 160 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,0,1,0,0,0|0,0,1]=3 161 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,0,1,0,0,0|0,0,1]=3 162 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,0,1,0,0,0|0,0,1]=3 163 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,0,1,0,0,0|0,0,1]=3 164 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,0,1,0,0,0|1,0,1]=4 165 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,0,1,0,0,0|1,0,1]=4 166 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,0,1,0,0,0|1,0,0]=3 167 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [1,0,1,0,0,0|1,0,1]=4 168 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,0,1,0,0,0|2,0,0]=4 169 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,0,1,0,0,0|1,0,0]=3 170 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [1,0,1,0,0,0|2,0,0]=4 171 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,0,1,0,0,0|1,0,0]=3 172 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,0,1,0,0,0|0,0,0]=2 173 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [1,0,1,0,0,0|0,0,0]=2 174 B9R0.14 C#C[C@H](CCC)OC(=O)C CNP0409199.1 [1,0,1,0,0,0|0,0,2]=4 175 B9R0.14 C=C[C@@H](CCC)OC(=O)C CNP0360654.1 [1,0,1,0,0,0|0,0,2]=4 176 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [1,0,1,0,0,0|0,0,0]=2 177 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [1,0,1,0,0,0|1,0,1]=4 178 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [2,0,0,0,0,0|0,0,0]=2 179 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [2,0,0,0,0,0|1,0,1]=4 181 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [2,0,0,0,0,0|1,0,1]=4 182 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [2,0,0,0,0,0|1,0,1]=4 183 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [2,0,0,0,0,0|2,0,0]=4 184 B11R0.2 CCCCCOC(=O)CC(C)C CNP0135492.0 [0,1,1,0,0,0|0,0,0]=2 185 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,1,1,0,0,0|0,0,2]=4 186 B11R0.4 CC=CCCCOC(=O)CCC CNP0508923.0 [0,1,1,0,0,0|0,0,1]=3 187 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,1,1,0,0,0|0,0,1]=3 188 B11R0.4 CCCC=CCOC(=O)CCC CNP0260808.0 [0,1,1,0,0,0|0,0,1]=3 189 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,1,1,0,0,0|2,0,0]=4 190 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,1,1,0,0,0|2,0,0]=4 191 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,1,1,0,0,0|1,0,0]=3 192 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,1,1,0,0,0|2,0,0]=4 193 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,1,1,0,0,0|0,0,0]=2 194 B11R0.5 CCCCC(C)OC(=O)CCC CNP0547746.0 [0,1,1,0,0,0|0,0,0]=2 195 B11R0.81 C=C(CCCC)OCCCCC CNP0385438.0 [0,1,1,0,0,0|1,0,0]=3 196 B11R0.81 CCCC=COC(=O)CCCC CNP0496892.0 [0,1,1,0,0,0|0,0,2]=4 197 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,1,1,0,0,0|1,0,1]=4 198 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [0,1,1,0,0,0|1,0,0]=3 199 B11R0.81 CCCCCOC(=O)CCCC CNP0079884.0 [0,1,1,0,0,0|0,0,0]=2 200 B11R0.142 CC=C(C)C(=O)OCCCCC CNP0541757.0 [0,1,1,0,0,0|0,0,2]=4 201 B11R0.142 CCCCCOC(=O)[C@H](C)CC CNP0234090.1 [0,1,1,0,0,0|0,0,0]=2 202 B11R0.174 CCCC(=O)OCCC(C)CC CNP0235877.0 [0,1,1,0,0,0|0,0,0]=2 203 B11R0.176 CCCC(=O)OCCCC(C)C CNP0508013.0 [0,1,1,0,0,0|0,0,0]=2 204 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,1,1,0,0,0|2,0,0]=4 205 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,1,1,0,0,0|2,0,0]=4 206 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [0,1,1,0,0,0|1,0,0]=3 207 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [0,1,1,0,0,0|1,0,1]=4 208 B11R0.30 CC(C)C=CCCCCC(=O)O CNP0063333.0 [0,1,1,0,0,0|0,0,2]=4 209 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [0,1,1,0,0,0|0,0,0]=2 210 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [0,1,1,0,0,0|0,0,1]=3 211 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,1,1,0,0,0|0,0,0]=2 212 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [0,1,1,0,0,0|1,0,1]=4 213 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [0,1,1,0,0,0|1,0,1]=4 214 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [0,1,1,0,0,0|1,0,1]=4 215 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,1,1,0,0,0|0,0,2]=4 216 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,1,1,0,0,0|2,0,0]=4 217 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,1,1,0,0,0|1,0,0]=3 218 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [0,1,1,0,0,0|1,0,1]=4 219 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,1,1,0,0,0|0,0,2]=4 220 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,1,1,0,0,0|0,0,2]=4 221 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,1,1,0,0,0|0,0,2]=4 222 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,1,1,0,0,0|0,0,2]=4 223 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,1,1,0,0,0|0,0,2]=4 224 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,1,1,0,0,0|0,0,2]=4 225 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,1,1,0,0,0|1,0,0]=3 226 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,1,1,0,0,0|0,0,0]=2 227 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,1,1,0,0,0|1,0,1]=4 228 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [0,1,1,0,0,0|0,0,2]=4 229 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,1,1,0,0,0|2,0,0]=4 230 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,1,1,0,0,0|1,0,0]=3 231 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [0,1,1,0,0,0|0,0,2]=4 232 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [0,1,1,0,0,0|0,0,2]=4 233 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,1,1,0,0,0|1,0,0]=3 234 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,1,1,0,0,0|0,0,0]=2 235 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,1,1,0,0,0|0,0,0]=2 236 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,1,1,0,0,0|0,0,0]=2 237 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,1,1,0,0,0|0,0,0]=2 238 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [0,1,1,0,0,0|1,0,1]=4 239 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [0,1,1,0,0,0|1,0,0]=3 240 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [0,1,1,0,0,0|1,0,0]=3 241 B11R0.42 NCCCNCC[C@H](N)C(=O)O CNP0485831.1 [0,1,1,0,0,0|2,0,0]=4 242 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,1,1,0,0,0|1,0,1]=4 243 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,1,1,0,0,0|0,0,1]=3 244 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [0,1,1,0,0,0|1,0,1]=4 245 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,1,1,0,0,0|0,0,0]=2 246 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [0,1,1,0,0,0|0,0,2]=4 247 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [0,1,1,0,0,0|0,0,2]=4 248 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [0,1,1,0,0,0|0,0,2]=4 249 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [0,1,1,0,0,0|0,0,2]=4 250 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [0,1,1,0,0,0|0,0,2]=4 251 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [0,1,1,0,0,0|1,0,1]=4 252 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [0,1,1,0,0,0|1,0,1]=4 253 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [0,1,1,0,0,0|1,0,1]=4 254 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [0,1,1,0,0,0|1,0,1]=4 255 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,1,1,0,0,0|0,0,0]=2 256 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [0,1,1,0,0,0|1,0,1]=4 257 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [0,1,1,0,0,0|2,0,0]=4 258 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,1,1,0,0,0|2,0,0]=4 259 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [0,1,1,0,0,0|0,0,0]=2 260 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,1,1,0,0,0|0,0,1]=3 261 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,1,1,0,0,0|1,0,1]=4 262 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,1,1,0,0,0|0,0,1]=3 263 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,1,1,0,0,0|0,0,1]=3 264 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,1,1,0,0,0|0,0,1]=3 265 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,1,1,0,0,0|1,0,1]=4 266 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,1,1,0,0,0|0,0,1]=3 267 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,1,1,0,0,0|0,0,1]=3 268 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,1,1,0,0,0|1,0,1]=4 269 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,1,1,0,0,0|0,0,1]=3 270 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,1,1,0,0,0|0,0,1]=3 271 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,1,1,0,0,0|1,0,1]=4 272 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,1,1,0,0,0|1,0,1]=4 273 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,1,1,0,0,0|0,0,1]=3 274 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,1,1,0,0,0|2,0,0]=4 275 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,1,1,0,0,0|1,0,0]=3 276 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,1,1,0,0,0|1,0,0]=3 277 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,1,1,0,0,0|1,0,0]=3 278 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,1,1,0,0,0|0,0,0]=2 279 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,1,1,0,0,0|0,1,0]=3 280 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,1,1,0,0,0|0,0,1]=3 281 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,1,1,0,0,0|0,0,1]=3 282 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,1,1,0,0,0|0,0,1]=3 283 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,1,1,0,0,0|0,0,1]=3 284 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,1,1,0,0,0|0,0,1]=3 285 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,1,1,0,0,0|1,0,1]=4 286 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,1,1,0,0,0|1,0,1]=4 287 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,1,1,0,0,0|1,0,0]=3 288 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,1,1,0,0,0|1,0,0]=3 289 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,1,1,0,0,0|1,0,0]=3 290 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,1,1,0,0,0|2,0,0]=4 291 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,1,1,0,0,0|0,0,0]=2 292 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,1,1,0,0,0|2,0,0]=4 293 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,1,1,0,0,0|0,0,0]=2 294 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,1,1,0,0,0|0,0,1]=3 295 B11R0.47 CCCC[C@H](CCC)OC(=O)C CNP0156291.1 [0,1,1,0,0,0|0,0,0]=2 296 B11R0.77 C=C[C@@H](CCCCC)OC(=O)C CNP0392840.2 [0,1,1,0,0,0|0,0,2]=4 297 B11R0.77 C=C[C@H](CCCCC)OC(=O)C CNP0392840.1 [0,1,1,0,0,0|0,0,2]=4 298 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,1,1,0,0,0|0,0,0]=2 299 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,1,1,0,0,0|0,0,0]=2 300 B11R0.162 CCC(CCNC)N(C)C(=O)C CNP0344745.0 [0,1,1,0,0,0|2,0,0]=4 301 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [0,1,1,0,0,0|1,0,1]=4 302 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [1,1,0,0,0,0|0,0,0]=2 303 B11R1.157 CC1=N[C@H](CCC1)C[C@@H](C)O CNP0113372.1 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.157 C[C@H](O)C[C@H]1CC=CC(=O)O1 CNP0256359.1 [1,1,0,0,0,0|0,0,2]=4 305 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.182 C/C=C/[C@@H]1OC(=O)CCC1O CNP0605853.1 [1,1,0,0,0,0|0,0,2]=4 307 B11R1.28 CCCCCC1CCCCC1 CNP0356632.0 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.28 CCCCCC1CCCCN1 CNP0582623.0 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.40 CC[C@@H](O)C[C@@H]1CCCCN1 CNP0267069.1 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.40 CC[C@H](O)C[C@H]1CCCCN1 CNP0267069.2 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.15 C/C=C/[C@H](O)C1CCC(=O)O1 CNP0279920.3 [0,1,0,0,1,0|0,0,2]=4 312 B11R1.15 C/C=C/[C@H](O)[C@@H]1CCC(=O)O1 CNP0279920.2 [0,1,0,0,1,0|0,0,2]=4 313 B11R1.15 C/C=C/[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.1 [0,1,0,0,1,0|0,0,2]=4 314 B11R1.15 CC=C[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.4 [0,1,0,0,1,0|0,0,2]=4 315 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,1,0,0,1,0|1,0,1]=4 316 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,1,0,0,1,0|0,0,1]=3 317 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,1,0,0,1,0|0,0,2]=4 318 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,1,0,0,1,0|0,0,2]=4 319 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,0,1,0|0,0,0]=2 320 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,0,1,0|0,0,0]=2 321 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,1,0,0,1,0|0,0,2]=4 322 B11R1.75 C[S+]([O-])CC[C@H]1CCC(=O)O1 CNP0581959.1 [0,1,0,0,1,0|1,0,0]=3 323 B11R1.212 CCCCC1=C(C(=O)CC1)O CNP0328452.0 [0,1,0,0,1,0|1,0,1]=4 324 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,1,0,0,1,0|0,0,0]=2 325 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,1,0,0,1,0|0,0,0]=2 326 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,1,0,0,1,0|0,0,0]=2 327 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,1,0,0,1,0|0,0,0]=2 328 B11R1.18 CCCCC1CCCC1CC CNP0603151.0 [0,1,0,0,1,0|1,0,1]=4 329 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [0,1,0,0,1,0|0,0,2]=4 330 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,1,0,0,1,0|0,0,0]=2 331 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,1,0,0,1,0|1,0,0]=3 332 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,1,0,0,1,0|0,0,2]=4 333 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,1,0,0,1,0|0,0,2]=4 334 B13R1.6 CCC=CCCC1CCCC(=O)O1 CNP0119575.0 [0,2,0,0,0,0|0,0,0]=2 335 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,2,0,0,0,0|0,0,0]=2 336 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.55 CCCCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0218581.3 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.55 CCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0218581.4 [0,2,0,0,0,0|0,0,0]=2 339 B13R1.55 CCCCC[C@H]1C[C@@H](CC(=O)O1)O CNP0218581.1 [0,2,0,0,0,0|0,0,0]=2 340 B13R1.55 CCCCC[C@H]1C[C@H](CC(=O)O1)O CNP0218581.2 [0,2,0,0,0,0|0,0,0]=2 341 B13R1.149 CC(=O)CCC[C@@H]1CC=CC(=O)O1 CNP0336641.1 [0,2,0,0,0,0|0,0,2]=4 342 B13R1.136 CCCC[C@@H]1C[C@H]([C@H](C(=O)O1)C)O CNP0341358.1 [0,2,0,0,0,0|0,0,0]=2 343 B11R1.30 COCC(=O)OC1CCCC1 CNP0525040.0 [0,0,1,1,0,0|1,0,0]=3 344 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,1,1,0,0|0,0,2]=4 345 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,0,1,1,0,0|2,0,0]=4 346 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,0,1,1,0,0|2,0,0]=4 347 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [0,0,1,1,0,0|0,0,2]=4 348 B11R1.204 O=C(O)[C@@H]1CCN1CCCO CNP0196381.1 [0,0,1,1,0,0|2,0,0]=4 349 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,0,1,1,0,0|0,0,2]=4 350 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,0,1,1,0,0|0,0,2]=4 351 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,0,1,1,0,0|0,0,0]=2 352 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,0,1,1,0,0|1,0,0]=3 353 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,0,1,1,0,0|2,0,0]=4 354 B11R1.313 C[C@H]1[C@@H](CC[C@@H]1C)CC(=O)O CNP0391795.1 [0,0,1,1,0,0|2,0,0]=4 355 B11R1.216 CCCCC1OC1C=CC=O CNP0451986.0 [0,0,1,1,0,0|0,0,2]=4 356 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [1,0,0,1,0,0|1,0,1]=4 357 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [1,0,0,1,0,0|1,0,1]=4 358 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [1,0,0,1,0,0|2,0,0]=4 359 B11R2.20 C1CC[C@@H]2NCCC[C@H]2C1 CNP0425638.1 [1,0,0,1,0,0|1,0,1]=4 360 B11R2.20 C1CC[C@H]2CCCC[C@@H]2C1 CNP0397862.1 [1,0,0,1,0,0|1,0,1]=4 361 B11R2.20 C1CC[C@H]2NCCC[C@H]2C1 CNP0425638.2 [1,0,0,1,0,0|1,0,1]=4 362 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,1,1,0|0,0,0]=2 363 B11R2.748 O=C1CCC2(C1)CCCC2 CNP0107580.0 [0,0,0,1,1,0|1,0,0]=3 364 B13R2.162 CC1CCCC2C1OC(=O)CC2 CNP0582072.0 [0,1,0,1,0,0|0,0,0]=2 365 B13R2.5187 C[C@H]1C[C@H]([C@H]2[C@@H]1COC(=O)C2)O CNP0548708.1 [0,1,0,1,0,0|2,0,0]=4 366 B13R2.5180 C=C1C(=O)OC[C@H]2[C@@H]1CC[C@@H]2C CNP0252655.1 [0,1,0,1,0,0|2,0,0]=4 367 B13R2.5180 C[C@@H]1C(=O)OC[C@H]2[C@@H]1CC[C@@H]2C CNP0105742.1 [0,1,0,1,0,0|2,0,0]=4 368 B13R2.5180 C[C@@H]1CC[C@@H]2[C@H]1COC(=O)[C@@H]2C CNP0105742.2 [0,1,0,1,0,0|2,0,0]=4 369 B13R2.5180 C[C@@H]1CC[C@@H]2[C@H]1COC(=O)[C@H]2C CNP0105742.3 [0,1,0,1,0,0|2,0,0]=4 370 B13R2.5180 C[C@H]1CC[C@H]2[C@@H]1COC(=O)[C@@H]2C CNP0105742.4 [0,1,0,1,0,0|2,0,0]=4 371 B13R2.5180 C[C@H]1CC[C@H]2[C@H]1COC(=O)[C@@H]2C CNP0105742.5 [0,1,0,1,0,0|2,0,0]=4 372 B13R2.4818 CC1C=CCC2C1C(=O)CCC2 CNP0604523.0 [0,1,0,1,0,0|1,0,1]=4 373 B13R2.5179 CN1CCC2C(=O)CCCC2C1 CNP0518875.0 [0,1,0,1,0,0|2,0,0]=4 374 B13R2.11128 C[C@@H]1CCC[C@]2(O1)CCCCO2 CNP0289105.1 [0,1,0,1,0,0|1,0,1]=4 375 B13R2.4856 C[C@@H]1[C@@H]2C(=O)OCC[C@H]2C[C@@H]1O CNP0240454.2 [0,1,0,1,0,0|2,0,0]=4 376 B13R2.4856 C[C@@H]1[C@H]2C(=O)OCC[C@H]2C[C@@H]1O CNP0240454.1 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.4856 C[C@H]1[C@@H]2C(=O)OCC[C@@H]2C[C@H]1O CNP0240454.3 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.5190 C[C@@H]1[C@@H]2COC(=O)C[C@H]2C[C@@H]1O CNP0199485.1 [0,1,0,1,0,0|2,0,0]=4 379 B13R2.5190 C[C@@H]1[C@H]2COC(=O)C[C@@H]2C[C@@H]1O CNP0199485.4 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.5190 C[C@@H]1[C@H]2COC(=O)C[C@H]2C[C@@H]1O CNP0199485.3 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.5190 C[C@H]1[C@H]2COC(=O)C[C@H]2C[C@H]1O CNP0199485.2 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.328 CC1=[N+]2CCCC[C@H]2C[C@@H](C1)C CNP0583238.1 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.328 C[C@@H]1CC(=O)C2CCCC[C@H]2N1 CNP0266983.1 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.328 C[C@@H]1CC(=O)C[C@@H]2N1CCCC2 CNP0210216.3 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.328 C[C@@H]1CC(=O)C[C@H]2N1CCCC2 CNP0210216.4 [0,1,0,1,0,0|2,0,0]=4 386 B13R2.328 C[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1 CNP0266983.3 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.328 C[C@@H]1CC(=O)[C@H]2CCCC[C@H]2N1 CNP0266983.2 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.328 C[C@H]1CC(=O)C[C@@H]2N1CCCC2 CNP0210216.1 [0,1,0,1,0,0|2,0,0]=4 389 B13R2.328 C[C@H]1CC(=O)C[C@H]2N1CCCC2 CNP0210216.2 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.3108 C[C@@]1(CC[C@H]2[C@@H]1COC(=O)C2)O CNP0119792.1 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.3108 C[C@]1(CC[C@@H]2[C@H]1COC(=O)C2)O CNP0119792.2 [0,1,0,1,0,0|2,0,0]=4 392 B13R2.5067 CC12CCCCC1=CC(=O)CC2 CNP0589092.0 [0,1,0,1,0,0|1,0,1]=4 393 B13R2.5151 C[C@@H]1COC(=O)[C@@H]2[C@@H]1CC[C@@H]2C CNP0142997.5 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.5151 C[C@@H]1COC(=O)[C@@H]2[C@H]1CC[C@@H]2C CNP0142997.6 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.5151 C[C@@H]1COC(=O)[C@H]2[C@@H]1CC[C@@H]2C CNP0142997.3 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.5151 C[C@@H]1COC(=O)[C@H]2[C@H]1CC[C@@H]2C CNP0142997.4 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.5151 C[C@H]1COC(=O)[C@@H]2[C@@H]1CC[C@@H]2C CNP0142997.2 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.5151 C[C@H]1COC(=O)[C@H]2[C@@H]1CC[C@@H]2C CNP0142997.1 [0,1,0,1,0,0|2,0,0]=4 399 B13R2.5820 CCCCC1(NC(=O)[C@H]2[C@@H]1O2)O CNP0355587.1 [0,1,0,1,0,0|2,0,0]=4 400 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,0,1,0,1,0|1,0,1]=4 401 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,0,1,0,1,0|2,0,0]=4 402 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,0,1,0,1,0|0,0,0]=2 403 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,0,1,0,1,0|2,0,0]=4 404 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,0,1,0,1,0|2,0,0]=4 405 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [0,0,1,0,1,0|1,0,0]=3 406 B9R0.13 CCCCC(CC)C(C)C CNP0593985.0 [0,0,1,0,1,0|1,0,1]=4 407 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,0,1,0,1,0|1,0,0]=3 408 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,0,1,0,1,0|1,0,0]=3 409 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,0,1,0,1,0|1,0,0]=3 410 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,0,1,0,1,0|2,0,0]=4 411 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,0,1,0,1,0|1,0,0]=3 412 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,0,1,0,1,0|2,0,0]=4 413 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [1,0,0,0,1,0|1,0,1]=4 414 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,0,1,0|0,0,0]=2 415 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [1,0,0,0,1,0|1,0,0]=3 416 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [1,0,0,0,1,0|1,0,0]=3 417 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,0,1,0|0,0,1]=3 418 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [1,0,0,0,1,0|1,1,0]=4 419 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [1,0,0,0,1,0|1,0,1]=4 420 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,0,1,0|0,0,0]=2 421 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [1,0,0,0,1,0|1,0,1]=4 422 B11R0.164 CCCCC(CC)CCC(=O)O CNP0002943.0 [0,0,1,0,0,1|2,0,0]=4 423 B11R0.164 CCCC[C@H](CC)COC(=O)C CNP0084871.1 [0,0,1,0,0,1|0,0,0]=2