0 B11R0.77 C=CC(CCCCC)CC(=O)O CNP0535039.0 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.77 C=CCCC[C@@H](C=C)OC(=O)C CNP0325653.1 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.77 C=C[C@@H](CCCCC)OC(=O)C CNP0392840.2 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.77 C=C[C@H](CCCCC)OC(=O)C CNP0392840.1 [0,0,0,0,0,0|0,0,0]=0 4 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [1,0,0,0,0,0|0,0,1]=2 9 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [1,0,0,0,0,0|3,0,0]=4 10 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O CNP0129827.1 [0,1,0,0,0,0|3,0,0]=4 11 B12R0.120 CCCCC[C@@H](CC(=O)O)C(=O)O CNP0339037.1 [0,1,0,0,0,0|3,0,0]=4 12 B12R0.120 CCCCC[C@H](CC(=O)O)C(=O)O CNP0339037.2 [0,1,0,0,0,0|3,0,0]=4 13 B12R0.120 CCCCC[C@H](OC(=O)C)C(Br)Br CNP0288718.1 [0,1,0,0,0,0|1,0,1]=3 14 B12R0.120 CCCSC[C@H](NC(=O)C)C(=O)O CNP0254752.1 [0,1,0,0,0,0|3,0,0]=4 15 B12R0.202 C=CC(CCCCCC)CC(=O)O CNP0542211.0 [0,1,0,0,0,0|2,0,0]=3 16 B12R0.202 C=C[C@@H](CCCCCC)OC(=O)C CNP0261053.1 [0,1,0,0,0,0|0,0,0]=1 17 B12R0.202 CCCCOCC(C#N)NC(=O)C CNP0345241.0 [0,1,0,0,0,0|2,0,1]=4 18 B12R0.535 C=C[C@@H](CCC=C(C)C)OC(=O)C CNP0315245.1 [0,1,0,0,0,0|0,0,2]=3 19 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [0,0,0,1,0,0|0,0,2]=3 20 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,0,0,1,0,0|1,0,1]=3 21 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,0,0,1,0,0|1,0,2]=4 22 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,0,0,1,0,0|0,0,2]=3 23 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,0,0,1,0,0|0,0,2]=3 24 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,0,0,1,0,0|1,0,2]=4 25 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,0,0,1,0,0|0,0,2]=3 26 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@@H]1O CNP0268314.3 [0,0,0,1,0,0|1,0,1]=3 27 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@H]1O CNP0268314.4 [0,0,0,1,0,0|1,0,1]=3 28 B12R1.456 CCCCC[C@H]1OC(=O)C[C@@H]1O CNP0268314.2 [0,0,0,1,0,0|1,0,1]=3 29 B12R1.456 CCCCC[C@H]1OC(=O)C[C@H]1O CNP0268314.1 [0,0,0,1,0,0|1,0,1]=3 30 B12R1.3862 C#CC1(CCCCC1)OC(=O)N CNP0565294.0 [0,0,0,1,0,0|1,0,2]=4 31 B10R0.86 CCCCCC(CC)C(=O)O CNP0026234.0 [0,0,0,0,1,0|1,0,2]=4 32 B10R0.86 CCCCCC(CO)C(=O)C CNP0002850.0 [0,0,0,0,1,0|1,0,1]=3 33 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [2,0,0,0,0,0|0,0,2]=4 36 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [2,0,0,0,0,0|0,0,2]=4 37 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [2,0,0,0,0,0|0,0,2]=4 38 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [2,0,0,0,0,0|0,0,2]=4 39 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [2,0,0,0,0,0|1,0,1]=4 40 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [2,0,0,0,0,0|1,0,0]=3 41 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [2,0,0,0,0,0|2,0,0]=4 44 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [2,0,0,0,0,0|2,0,0]=4 47 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [2,0,0,0,0,0|0,0,0]=2 51 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [2,0,0,0,0,0|0,0,1]=3 52 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [2,0,0,0,0,0|1,0,1]=4 53 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [2,0,0,0,0,0|1,0,1]=4 55 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [2,0,0,0,0,0|0,0,1]=3 56 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [2,0,0,0,0,0|0,0,1]=3 57 B9R0.14 C#C[C@H](CCC)OC(=O)C CNP0409199.1 [2,0,0,0,0,0|0,0,2]=4 58 B9R0.14 C=C[C@@H](CCC)OC(=O)C CNP0360654.1 [2,0,0,0,0,0|0,0,0]=2 59 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [2,0,0,0,0,0|0,0,2]=4 60 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [1,1,0,0,0,0|0,0,2]=4 61 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [1,1,0,0,0,0|0,0,1]=3 62 B11R0.6 CC(=O)OC(C)CCCC(C)C CNP0003322.0 [1,1,0,0,0,0|0,0,1]=3 63 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [1,1,0,0,0,0|2,0,0]=4 64 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [1,1,0,0,0,0|2,0,0]=4 65 B11R0.161 C=C[C@@H](C/C=C/CCC)OC=O CNP0178328.2 [1,1,0,0,0,0|0,0,1]=3 66 B11R0.161 C=C[C@@H](C/C=C\CCC)OC=O CNP0178328.1 [1,1,0,0,0,0|0,0,1]=3 67 B11R0.161 C=C[C@@H](CC=CCCC)OC=O CNP0178328.3 [1,1,0,0,0,0|0,0,1]=3 68 B11R0.47 CCCC[C@H](CCC)OC(=O)C CNP0156291.1 [1,1,0,0,0,0|0,0,2]=4 69 B11R0.76 CCCCCCC(CC)C(=O)C CNP0533246.0 [0,1,0,0,1,0|0,0,2]=4 70 B11R0.153 CCCCCC(C(=O)O)C(=O)O CNP0584632.0 [0,1,0,0,1,0|2,0,0]=4 71 B13R0.125 CCCCC(Br)C(OC(=O)C)C(Br)Br CNP0017706.0 [0,2,0,0,0,0|1,0,1]=4 72 B13R0.455 CCCCC(Br)(Br)[C@H](CBr)OC(=O)C CNP0017703.1 [0,2,0,0,0,0|1,0,1]=4 73 B13R0.281 CCCCCCC(NC(=O)C)C(=O)O CNP0511454.0 [0,2,0,0,0,0|2,0,0]=4 74 B13R0.1051 C=CC(CCCCC)OC(=O)CCC CNP0002812.0 [0,2,0,0,0,0|0,0,0]=2 75 B13R0.1051 CCCCCC(CC)OC(=O)CCC CNP0003265.0 [0,2,0,0,0,0|0,0,2]=4 76 B13R0.1592 C=C[C@@](C)(CCC=C(C)C)OC(=O)C CNP0150444.1 [0,2,0,0,0,0|0,0,2]=4 77 B13R0.1592 C=C[C@](C)(CCC=C(C)C)OC(=O)C CNP0150444.2 [0,2,0,0,0,0|0,0,2]=4 78 B13R0.1592 C=C[C@](C)(CCCC(=C)C)OC(=O)C CNP0214475.1 [0,2,0,0,0,0|0,0,1]=3 79 B13R0.1592 C=C[C@](C)(CCCC(C)C)OC(=O)C CNP0102028.1 [0,2,0,0,0,0|0,0,0]=2 80 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [1,0,0,1,0,0|0,0,1]=3 81 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [1,0,0,1,0,0|0,0,1]=3 82 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [1,0,0,1,0,0|0,0,1]=3 83 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [1,0,0,1,0,0|0,0,1]=3 84 B11R1.157 CC(=O)C[C@@H]1CCC[C@@H](N1)C CNP0270441.4 [1,0,0,1,0,0|2,0,0]=4 85 B11R1.157 CC(=O)C[C@@H]1CCC[C@H](N1)C CNP0270441.3 [1,0,0,1,0,0|2,0,0]=4 86 B11R1.157 CC(=O)C[C@H]1CCC[C@@H](N1)C CNP0270441.2 [1,0,0,1,0,0|2,0,0]=4 87 B11R1.157 CC(=O)C[C@H]1CCC[C@H](N1)C CNP0270441.1 [1,0,0,1,0,0|2,0,0]=4 88 B11R1.157 CC(=O)O[C@@H]1CCC[C@@H](C1)C CNP0286478.1 [1,0,0,1,0,0|0,0,1]=3 89 B11R1.157 CC(=O)O[C@@H]1CCC[C@H](C1)C CNP0286478.3 [1,0,0,1,0,0|0,0,1]=3 90 B11R1.157 CC(=O)O[C@H]1CCC[C@H](C1)C CNP0286478.2 [1,0,0,1,0,0|0,0,1]=3 91 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [1,0,0,1,0,0|1,0,1]=4 92 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [1,0,0,1,0,0|1,0,1]=4 93 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [1,0,0,1,0,0|0,0,1]=3 94 B11R1.18 C=C[C@@H]1CC=C[C@@H]1CCCC CNP0288194.2 [1,0,0,1,0,0|1,0,1]=4 95 B11R1.18 C=C[C@H]1CC=C[C@@H]1CCCC CNP0288194.3 [1,0,0,1,0,0|1,0,1]=4 96 B11R1.18 C=C[C@H]1CC=C[C@H]1CCCC CNP0288194.1 [1,0,0,1,0,0|1,0,1]=4 97 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [1,0,0,1,0,0|1,0,1]=4 98 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [1,0,0,1,0,0|0,0,2]=4 99 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [1,0,0,1,0,0|1,0,1]=4 100 B11R1.86 CC(=O)O[C@@H]1CCCC=C1C CNP0153572.1 [1,0,0,1,0,0|0,0,2]=4 101 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [1,0,0,1,0,0|1,0,1]=4 102 B11R1.3 C=C(C)C1C=CC(CC1)CO CNP0612024.0 [0,0,0,1,1,0|2,0,0]=4 103 B11R1.706 C=C(C)C1C=CCCCCC1 CNP0507387.0 [0,0,0,1,1,0|1,0,0]=3 104 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)O CNP0586501.0 [0,1,0,1,0,0|2,0,0]=4 105 B13R1.8842 CC(=O)OC1(CCCCC1)C(=O)C CNP0002621.0 [0,1,0,1,0,0|0,0,1]=3 106 B13R1.670 CCCCCN1C=CC=C1C(=O)C CNP0166784.0 [0,1,0,1,0,0|2,0,0]=4 107 B13R1.663 CCCCC[C@@H]1OC(=O)C(=C1C)C CNP0155595.1 [0,1,0,1,0,0|0,0,1]=3 108 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,1,0,1,0,0|0,0,2]=4 109 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,1,0,1,0,0|1,0,1]=4 110 B13R1.6 O=C1C=CC=C(O1)CCCCCO CNP0323303.0 [0,1,0,1,0,0|0,0,2]=4 111 B13R1.190 CCCCCCC1OC(=O)CC1C CNP0251689.0 [0,1,0,1,0,0|0,0,2]=4 112 B13R1.190 CCCCCC[C@@H]1CC(=O)CC1=O CNP0252659.1 [0,1,0,1,0,0|2,0,0]=4 113 B13R1.190 CCCCCC[C@H]1OC(=CC1=O)C CNP0175294.1 [0,1,0,1,0,0|2,0,0]=4 114 B13R1.55 CCCCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0218581.3 [0,1,0,1,0,0|0,0,2]=4 115 B13R1.55 CCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0218581.4 [0,1,0,1,0,0|0,0,2]=4 116 B13R1.55 CCCCC[C@H]1C[C@@H](CC(=O)O1)O CNP0218581.1 [0,1,0,1,0,0|0,0,2]=4 117 B13R1.55 CCCCC[C@H]1C[C@H](CC(=O)O1)O CNP0218581.2 [0,1,0,1,0,0|0,0,2]=4 118 B13R1.149 C[C@H](O)CCCC1=CC=CC(=O)O1 CNP0297745.1 [0,1,0,1,0,0|0,0,2]=4 119 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [1,0,0,0,1,0|0,0,1]=3 120 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,0,0,0,1,0|1,0,1]=4 121 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [1,0,0,0,1,0|1,0,1]=4 122 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [1,0,0,0,1,0|2,0,0]=4 123 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,0,0,0,1,0|1,0,0]=3 124 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [1,0,0,0,1,0|2,0,0]=4 125 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [1,0,0,0,1,0|2,0,0]=4 126 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [1,0,0,0,1,0|2,0,0]=4 127 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [1,0,0,0,1,0|1,0,1]=4 128 B11R0.164 CCCC[C@H](CC)COC(=O)C CNP0084871.1 [1,0,0,0,0,1|0,0,2]=4