0 B11R0.6 CC(=CC=CC(=CC(=O)O)C)C CNP0286255.0 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.6 CC(=CCC=C(C)CC(=O)O)C CNP0143090.0 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.6 CC(=CCCC(=CC(=O)O)C)C CNP0281881.0 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.6 CC(=CCCC(=CC(C)O)C)C CNP0116095.0 [0,0,0,0,0,0|1,0,3]=4 4 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C CNP0402865.1 [0,0,0,0,0,0|0,0,0]=0 5 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C CNP0402865.2 [0,0,0,0,0,0|0,0,0]=0 6 B11R0.6 CC(=O)C=C(C)CCC=C(C)C CNP0003286.0 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.6 CC(=O)CC(=CCC=C(C)C)C CNP0372207.0 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.6 CC(=O)OC(=CCC=C(C)C)C CNP0434676.0 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.6 CC(=O)OC(C)CCCC(C)C CNP0003322.0 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.6 CC(=O)OCCC(=CC(=O)O)C CNP0373658.0 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.6 CC(=O)OCC[C@H](C)OC(=O)C CNP0076814.1 [0,0,0,0,0,0|4,0,0]=4 12 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C CNP0306070.1 [0,0,0,0,0,0|2,0,0]=2 13 B11R0.6 CC(=O)O[C@H](C)CCC=C(C)C CNP0306070.2 [0,0,0,0,0,0|2,0,0]=2 14 B11R0.6 C[C@H](CCCC(=O)O)CC(=O)O CNP0273190.1 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.6 N[C@@H](CCCC(=O)O)CC(=O)O CNP0360279.1 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.3 C=C(C)CCC[C@@H](C)CC=O CNP0306667.1 [1,0,0,0,0,0|0,0,2]=3 17 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [1,0,0,0,0,0|0,0,3]=4 18 B10R0.3 C=C(C)CCC[C@H](C)CC=O CNP0306667.2 [1,0,0,0,0,0|0,0,2]=3 19 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [1,0,0,0,0,0|0,0,3]=4 20 B10R0.3 C=C(CCO)CCC=C(C)C CNP0106271.0 [1,0,0,0,0,0|0,0,3]=4 21 B10R0.3 C=CC=C(C)CCC=C(C)C CNP0134363.0 [1,0,0,0,0,0|1,0,2]=4 22 B10R0.3 C=CCC(C)CCC=C(C)C CNP0086074.0 [1,0,0,0,0,0|1,0,0]=2 23 B10R0.3 CC(=CCC=C(C)CC=O)C CNP0267301.0 [1,0,0,0,0,0|0,0,2]=3 24 B10R0.3 CC(=CCC=C(C)CCO)C CNP0086431.0 [1,0,0,0,0,0|0,0,3]=4 25 B10R0.3 CC(=CCCC(=CC=O)C)C CNP0127332.0 [1,0,0,0,0,0|0,0,2]=3 26 B10R0.3 CC(=CCCC(=CCO)C)C CNP0244258.0 [1,0,0,0,0,0|0,0,3]=4 27 B10R0.3 CC(=CCC[C@@H](C)/C=N\O)C CNP0197332.2 [1,0,0,0,0,0|1,0,1]=3 28 B10R0.3 CC(=CCC[C@@H](C)CC=O)C CNP0348470.1 [1,0,0,0,0,0|0,0,0]=1 29 B10R0.3 CC(=CCC[C@@H](C)CCO)C CNP0152105.1 [1,0,0,0,0,0|0,0,1]=2 30 B10R0.3 CC(=CCC[C@@H](C)NC=O)C CNP0392877.1 [1,0,0,0,0,0|1,0,0]=2 31 B10R0.3 CC(=CCC[C@H](C)/C=N/O)C CNP0197332.1 [1,0,0,0,0,0|1,0,1]=3 32 B10R0.3 CC(=CCC[C@H](C)CC=O)C CNP0348470.2 [1,0,0,0,0,0|0,0,0]=1 33 B10R0.3 CC(=CCC[C@H](C)CCO)C CNP0152105.2 [1,0,0,0,0,0|0,0,1]=2 34 B10R0.3 CC(=CCC[C@H](C)NC=O)C CNP0392877.2 [1,0,0,0,0,0|1,0,0]=2 35 B10R0.3 CC(C)CCC[C@@H](C)CCO CNP0232963.2 [1,0,0,0,0,0|0,0,3]=4 36 B10R0.3 CC(C)CCC[C@H](C)CCO CNP0232963.1 [1,0,0,0,0,0|0,0,3]=4 37 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [1,0,0,0,0,0|0,0,2]=3 38 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [1,0,0,0,0,0|1,0,2]=4 39 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [1,0,0,0,0,0|1,0,2]=4 40 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [1,0,0,0,0,0|1,0,2]=4 41 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [1,0,0,0,0,0|2,0,0]=3 42 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [1,0,0,0,0,0|0,0,2]=3 43 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [1,0,0,0,0,0|1,0,2]=4 44 B10R0.97 N=C(N)NCCCCC(=O)O CNP0295087.0 [1,0,0,0,0,0|3,0,0]=4 45 B10R0.97 NC(=O)NCCCCC(=O)O CNP0243666.0 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [1,0,0,0,0,0|2,0,1]=4 47 B12R0.140 CC(=CCCC(C)CC(C)(C)O)C CNP0103457.0 [0,1,0,0,0,0|1,0,1]=3 48 B12R0.240 CC(=CCCC(=CC(O)C=O)C)C CNP0611897.0 [0,1,0,0,0,0|0,0,3]=4 49 B12R0.240 COC(=O)C=C(C)CCC=C(C)C CNP0141739.0 [0,1,0,0,0,0|0,0,2]=3 50 B12R0.240 COC(=O)C[C@@H](C)CCC=C(C)C CNP0144792.1 [0,1,0,0,0,0|0,0,0]=1 51 B12R0.240 COC(=O)C[C@H](C)CCC=C(C)C CNP0144792.2 [0,1,0,0,0,0|0,0,0]=1 52 B12R0.241 C=C/C(=C/CC[C@H](C)CC(=O)O)/C CNP0106707.1 [0,1,0,0,0,0|0,0,1]=2 53 B12R0.241 CC(=CCCC(C)CC(=O)O)CO CNP0126398.0 [0,1,0,0,0,0|0,0,0]=1 54 B12R0.241 CCC(=CCCC(=CC(=O)O)C)C CNP0527633.0 [0,1,0,0,0,0|0,0,2]=3 55 B12R0.535 C=C[C@@H](CCC=C(C)C)OC(=O)C CNP0315245.1 [0,1,0,0,0,0|2,0,1]=4 56 B12R0.686 CC(=CCCC(=C(C)C(=O)O)C)C CNP0438625.0 [0,1,0,0,0,0|0,0,2]=3 57 B12R0.686 CC(CCN=C(N)N)C(N)C(=O)O CNP0071730.0 [0,1,0,0,0,0|3,0,0]=4 58 B12R0.686 CC(CCNC(=N)N)C(N)C(=O)O CNP0608831.0 [0,1,0,0,0,0|3,0,0]=4 59 B12R0.686 CC(CCNC(=N)N)[C@H](N)C(=O)O CNP0608831.1 [0,1,0,0,0,0|3,0,0]=4 60 B12R0.687 CC(CCC(O)C(C)C)CC(=O)O CNP0596388.0 [0,1,0,0,0,0|0,0,2]=3 61 B12R0.697 CC(=CCC[C@@](C)(O)CC(=O)O)C CNP0202436.1 [0,1,0,0,0,0|0,0,0]=1 62 B12R1.105 CC(=CCC[C@@H]1COC(=O)C1)C CNP0119505.1 [0,0,0,1,0,0|0,0,0]=1 63 B12R1.105 CC(=CCC[C@H]1CCC(=O)O1)C CNP0542275.1 [0,0,0,1,0,0|2,0,0]=3 64 B12R1.498 CC(=O)[C@@H]1[C@@H](CC[C@@H]1C(C)C)C CNP0068597.3 [0,0,0,1,0,0|1,0,2]=4 65 B12R1.498 CC(=O)[C@@H]1[C@@H](CC[C@H]1C(C)C)C CNP0068597.1 [0,0,0,1,0,0|1,0,2]=4 66 B12R1.498 CC(=O)[C@@H]1[C@H](CC[C@H]1C(C)C)C CNP0068597.4 [0,0,0,1,0,0|1,0,2]=4 67 B12R1.498 CC(=O)[C@H]1CC[C@H]([C@@H]1C(=O)O)C CNP0266486.1 [0,0,0,1,0,0|1,0,1]=3 68 B12R1.498 CC(=O)[C@H]1[C@H](CC[C@@H]1C)C(C)C CNP0068597.2 [0,0,0,1,0,0|1,0,2]=4 69 B12R1.498 CC(C)[C@@H]1CC[C@@H]([C@H]1C(=O)O)C CNP0459553.2 [0,0,0,1,0,0|0,0,2]=3 70 B12R1.498 CC(C)[C@@H]1CC[C@H]([C@H]1C(=O)O)C CNP0459553.4 [0,0,0,1,0,0|0,0,2]=3 71 B12R1.498 CC(C)[C@H]1CC[C@@H]([C@H]1C(=O)O)C CNP0459553.3 [0,0,0,1,0,0|0,0,2]=3 72 B12R1.498 CC(C)[C@H]1CC[C@H]([C@H]1C(=O)O)C CNP0459553.1 [0,0,0,1,0,0|0,0,2]=3 73 B12R1.861 CC(=CC[C@H]1OC(=O)C[C@@H]1C)C CNP0303951.1 [0,0,0,1,0,0|0,0,0]=1 74 B12R1.1218 CC(C)[C@@H]1CC[C@H](CC(=O)O1)C CNP0261040.1 [0,0,0,1,0,0|0,0,2]=3 75 B12R1.1218 CC(C)[C@H]1CC[C@H](CC(=O)O1)C CNP0261040.2 [0,0,0,1,0,0|0,0,2]=3 76 B12R1.1218 CC1=CC(=O)OC(=C(C)C)CC1 CNP0203820.0 [0,0,0,1,0,0|0,0,2]=3 77 B12R1.1258 C[C@@H]1CCCC([C@@H]1C(=O)O)(C)C CNP0146186.1 [0,0,0,1,0,0|0,0,2]=3 78 B12R1.1258 C[C@H]1CCCC([C@@H]1C(=O)O)(C)C CNP0146186.2 [0,0,0,1,0,0|0,0,2]=3 79 B12R1.2734 CC(=O)/C=C/[C@@H]1[C@@H]([C@H]1C(=O)C)C CNP0161915.1 [0,0,0,1,0,0|2,0,1]=4 80 B12R1.2734 CC(=O)/C=C/[C@@H]1[C@H]([C@H]1C(=O)C)C CNP0161915.2 [0,0,0,1,0,0|2,0,1]=4 81 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O CNP0259340.1 [0,0,0,0,1,0|2,0,0]=3 82 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O CNP0259340.2 [0,0,0,0,1,0|2,0,0]=3 83 B10R0.96 C[S+](C)CC[C@@H](O)CC(=O)[O-] CNP0063327.1 [0,0,0,0,1,0|2,0,1]=4 84 B10R0.96 C[S+](C)CC[C@H](O)CC(=O)O CNP0018375.1 [0,0,0,0,1,0|2,0,0]=3 85 B10R0.96 NC(=O)CCC(N)CC(=O)O CNP0415823.0 [0,0,0,0,1,0|3,0,0]=4 86 B10R0.96 O=C(O)CCC(O)CC(=O)O CNP0084473.0 [0,0,0,0,1,0|3,0,0]=4 87 B10R0.98 CC(=CCC=C(C)C(=O)O)C CNP0318467.0 [0,0,0,0,1,0|0,0,2]=3 88 B10R0.98 CC(=CCCC(C)C(=O)O)C CNP0436414.0 [0,0,0,0,1,0|0,0,0]=1 89 B10R0.98 CC(=CCC[C@@H](C)[C@@H](C)O)C CNP0325931.3 [0,0,0,0,1,0|1,0,1]=3 90 B10R0.98 CC(=CCC[C@@H](C)[C@H](C)O)C CNP0325931.2 [0,0,0,0,1,0|1,0,1]=3 91 B10R0.98 CC(=CCC[C@H](C)[C@@H](C)O)C CNP0325931.1 [0,0,0,0,1,0|1,0,1]=3 92 B10R0.98 CC(=CCC[C@H](C)[C@H](C)O)C CNP0325931.4 [0,0,0,0,1,0|1,0,1]=3 93 B10R0.98 CC(=O)NCCC(N)C(=O)O CNP0147930.0 [0,0,0,0,1,0|3,0,0]=4 94 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CNP0147930.1 [0,0,0,0,1,0|3,0,0]=4 95 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CNP0415355.1 [0,0,0,0,1,0|3,0,0]=4 96 B10R0.98 CC(C)CCCC(C)C(=O)O CNP0346887.0 [0,0,0,0,1,0|0,0,2]=3 97 B10R0.98 CC(C)CCC[C@H](N)C(=O)O CNP0379173.1 [0,0,0,0,1,0|1,0,2]=4 98 B12R0.44 CC(=CCCC(=NNC(=O)N)C)C CNP0123715.0 [0,0,0,0,0,1|2,0,1]=4 99 B12R0.44 CC(=CCCC(C)CCC(=O)O)C CNP0572331.0 [0,0,0,0,0,1|0,0,0]=1 100 B12R0.44 CC(=O)CC=C(C)CCC=C(C)C CNP0460160.0 [0,0,0,0,0,1|1,0,1]=3 101 B12R0.44 CC(=O)OC=C(C)CCC=C(C)C CNP0086373.0 [0,0,0,0,0,1|1,0,2]=4 102 B12R0.44 CC(C)CCCC(C)CCC(=O)O CNP0161471.0 [0,0,0,0,0,1|0,0,2]=3 103 B12R0.270 CC(=O)NCCC[C@H](N)CC(=O)O CNP0542324.1 [0,0,0,0,0,1|2,0,1]=4 104 B12R0.270 C[C@H](CCCCC(=O)O)CC(=O)O CNP0190102.1 [0,0,0,0,0,1|2,0,1]=4 105 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [2,0,0,0,0,0|0,0,2]=4 106 B9R0.1 C=C[C@@H](C)CCC=C(C)C CNP0168256.2 [2,0,0,0,0,0|0,0,1]=3 107 B9R0.1 C=C[C@H](C)CCC=C(C)C CNP0168256.1 [2,0,0,0,0,0|0,0,1]=3 108 B9R0.1 CC(=CCCC(=NO)C)C CNP0212502.0 [2,0,0,0,0,0|1,0,1]=4 109 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [2,0,0,0,0,0|0,0,0]=2 110 B9R0.1 CC(=CCC[C@@H](C)CO)C CNP0191212.1 [2,0,0,0,0,0|0,0,0]=2 111 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [2,0,0,0,0,0|0,0,0]=2 112 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [2,0,0,0,0,0|0,0,2]=4 113 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [2,0,0,0,0,0|0,0,2]=4 114 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [2,0,0,0,0,0|0,0,2]=4 115 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [2,0,0,0,0,0|0,0,2]=4 116 B9R0.1 CC=C(C)CCC=C(C)C CNP0355870.0 [2,0,0,0,0,0|1,0,1]=4 117 B9R0.1 CNC(C)CCC=C(C)C CNP0500173.0 [2,0,0,0,0,0|1,0,1]=4 118 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [2,0,0,0,0,0|0,0,2]=4 119 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [2,0,0,0,0,0|0,0,2]=4 120 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [2,0,0,0,0,0|2,0,0]=4 121 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [2,0,0,0,0,0|0,0,2]=4 122 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [2,0,0,0,0,0|0,0,2]=4 123 B9R0.5 CC=COCC(C)CC=O CNP0595975.0 [2,0,0,0,0,0|1,0,0]=3 124 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [2,0,0,0,0,0|0,0,2]=4 125 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [2,0,0,0,0,0|0,0,2]=4 126 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [2,0,0,0,0,0|1,0,1]=4 127 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [2,0,0,0,0,0|1,0,1]=4 128 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [2,0,0,0,0,0|2,0,0]=4 129 B11R0.59 CC(=CC[C@H](O)[C@@H](C)CCO)C CNP0215251.1 [1,1,0,0,0,0|0,0,1]=3 130 B11R0.59 CC(=CC[C@H](O)[C@H](C)CCO)C CNP0215251.2 [1,1,0,0,0,0|0,0,1]=3 131 B11R0.104 C=CCC(C)(O)CCC=C(C)C CNP0493332.0 [1,1,0,0,0,0|1,0,0]=3 132 B11R0.104 CC(=CCCC(C)(O)C=CO)C CNP0554020.0 [1,1,0,0,0,0|0,0,1]=3 133 B11R0.104 CC(=CCCC(C)(O)CC=O)C CNP0525383.0 [1,1,0,0,0,0|0,0,0]=2 134 B11R0.104 CC(=CCC[C@@](C)(O)CCO)C CNP0267487.1 [1,1,0,0,0,0|0,0,1]=3 135 B11R0.145 C=C(C=O)C(C)CCC=C(C)C CNP0611702.0 [1,1,0,0,0,0|0,0,1]=3 136 B11R0.147 CC(=CCCC(=CCCO)C)C CNP0346393.0 [1,1,0,0,0,0|0,0,2]=4 137 B11R0.147 CC(C)CCC[C@@H](C)C/C=N/O CNP0026549.2 [1,1,0,0,0,0|0,0,2]=4 138 B11R0.147 CC(C)CCC[C@H](C)C/C=N/O CNP0026549.1 [1,1,0,0,0,0|0,0,2]=4 139 B11R0.174 CC(=CCCC(=CC=O)C)CO CNP0245895.0 [1,1,0,0,0,0|0,0,2]=4 140 B11R0.174 CC(=CCCC(C)CC=O)CO CNP0506134.0 [1,1,0,0,0,0|0,0,0]=2 141 B11R0.174 CC(=CCCC(C)CCO)CO CNP0579020.0 [1,1,0,0,0,0|0,0,1]=3 142 B11R0.180 C[C@@H](CC=O)CCCC(C)(C)O CNP0276993.1 [1,1,0,0,0,0|0,0,2]=4 143 B11R0.180 C[C@H](CC=O)CCCC(C)(C)O CNP0276993.2 [1,1,0,0,0,0|0,0,2]=4 144 B11R0.68 CCCC[C@H](O)[C@@H](C)CC(=O)O CNP0548280.1 [1,1,0,0,0,0|0,0,2]=4 145 B11R0.29 CC(=CCSCC(N)C(=O)O)C CNP0119163.0 [1,1,0,0,0,0|1,0,0]=3 146 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O CNP0237359.1 [1,1,0,0,0,0|2,0,0]=4 147 B11R0.29 CC(=O)NCCC[C@@H](O)C(=O)O CNP0256684.1 [1,1,0,0,0,0|2,0,0]=4 148 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O CNP0230750.1 [1,1,0,0,0,0|2,0,0]=4 149 B11R0.29 CC(C)CCCC[C@H](N)C(=O)O CNP0257008.1 [1,1,0,0,0,0|0,0,2]=4 150 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O CNP0190712.1 [1,1,0,0,0,0|1,0,1]=4 151 B11R0.29 O=C(O)CCCCC(=O)C(=O)O CNP0201111.0 [1,1,0,0,0,0|2,0,0]=4 152 B11R0.85 CC(C)CC[C@@H](N)CCC(=O)O CNP0367952.2 [1,1,0,0,0,0|0,0,2]=4 153 B11R0.85 CC(C)CC[C@H](N)CCC(=O)O CNP0367952.1 [1,1,0,0,0,0|0,0,2]=4 154 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [1,1,0,0,0,0|1,0,1]=4 155 B11R0.33 CC(CC(=O)O)CC(C)C(=O)O CNP0084063.0 [0,1,0,0,1,0|2,0,0]=4 156 B11R0.143 CO[C@@H](CCC(=O)C)CC(=O)O CNP0538961.1 [0,1,0,0,1,0|1,0,0]=3 157 B11R0.149 CC(C)C[C@@H](N)[C@@H](O)CC(=O)O CNP0129385.1 [0,1,0,0,1,0|1,0,1]=4 158 B11R0.149 CC(C)C[C@@H](N)[C@H](O)CC(=O)O CNP0129385.3 [0,1,0,0,1,0|1,0,1]=4 159 B11R0.149 CC(C)C[C@H](N)[C@@H](O)CC(=O)O CNP0129385.2 [0,1,0,0,1,0|1,0,1]=4 160 B11R0.109 CC[C@H](C)CCC[C@@H](C)C(=O)O CNP0357116.1 [0,1,0,0,1,0|0,0,2]=4 161 B11R0.202 CC(=O)CCCC(C)(C)C(=O)O CNP0186044.0 [0,1,0,0,1,0|1,0,1]=4 162 B13R0.208 CCC(C)CCCC(C)CCC(=O)O CNP0018012.0 [0,1,0,0,0,1|0,0,2]=4 163 B13R0.493 COC(=O)CC[C@H](C)CCCC(C)C CNP0249400.1 [0,1,0,0,0,1|0,0,2]=4 164 B13R0.615 CC(=C[C@@H](C)C[C@@H](C)/C=C/C(=O)O)C CNP0444347.3 [0,1,0,0,0,1|0,0,1]=3 165 B13R0.615 CC(=C[C@@H](C)C[C@H](C)/C=C/C(=O)O)C CNP0444347.1 [0,1,0,0,0,1|0,0,1]=3 166 B13R0.615 CC(=C[C@H](C)C[C@@H](C)/C=C/C(=O)O)C CNP0444347.4 [0,1,0,0,0,1|0,0,1]=3 167 B13R0.615 CC(=C[C@H](C)C[C@H](C)/C=C/C(=O)O)C CNP0444347.2 [0,1,0,0,0,1|0,0,1]=3 168 B13R0.1403 CC(=O)O[C@@H](C)[C@H](C)CCC=C(C)C CNP0321482.1 [0,1,0,0,0,1|1,0,0]=3 169 B13R0.78 C/C(=C/CC[C@@H](C)CC(=O)O)/C(=O)O CNP0154306.1 [0,1,0,0,0,1|2,0,0]=4 170 B13R0.78 C/C(=C\CC[C@H](C)CC(=O)O)/C(=O)O CNP0154306.2 [0,1,0,0,0,1|2,0,0]=4 171 B13R0.331 CCOC(=O)C=C(C)CCC=C(C)C CNP0190103.0 [0,2,0,0,0,0|0,0,2]=4 172 B13R0.331 CCOC(=O)CC(=CCC=C(C)C)C CNP0095113.0 [0,2,0,0,0,0|0,0,2]=4 173 B13R0.429 COC(=O)CCC[C@@H](C)CC(=O)OC CNP0190063.1 [0,2,0,0,0,0|1,0,1]=4 174 B13R0.1248 CC/C(=C/CC[C@@H](CC)OC(=O)C)/C CNP0169883.1 [0,2,0,0,0,0|2,0,0]=4 175 B13R0.1592 C#C[C@@](C)(CCC=C(C)C)OC(=O)C CNP0376646.1 [0,2,0,0,0,0|2,0,0]=4 176 B13R0.1592 C#C[C@](C)(CCC=C(C)C)OC(=O)C CNP0376646.2 [0,2,0,0,0,0|2,0,0]=4 177 B13R0.1592 C=CC(C)(CCC=C(C)C)CC(=O)O CNP0520897.0 [0,2,0,0,0,0|0,0,0]=2 178 B13R0.1592 C=C[C@@](C)(CCC=C(C)C)OC(=O)C CNP0150444.1 [0,2,0,0,0,0|2,0,0]=4 179 B13R0.1592 C=C[C@](C)(CCC=C(C)C)OC(=O)C CNP0150444.2 [0,2,0,0,0,0|2,0,0]=4 180 B13R0.1173 CC(C)/C(=N\O)/CC[C@@H](C)CC(=O)O CNP0437607.2 [0,2,0,0,0,0|0,0,1]=3 181 B13R0.1173 CC(C)/C(=N\O)/CC[C@H](C)CC(=O)O CNP0437607.1 [0,2,0,0,0,0|0,0,1]=3 182 B11R1.64 C=C(C)C1CCC(C1C=O)C CNP0109366.0 [1,0,0,1,0,0|0,0,2]=4 183 B11R1.64 C=C(C)[C@@H]1CC[C@H]([C@H]1C=O)C CNP0109366.1 [1,0,0,1,0,0|0,0,2]=4 184 B11R1.157 CC(=C[C@@H]1C[C@@H](CCO1)C)C CNP0197945.4 [1,0,0,1,0,0|0,0,1]=3 185 B11R1.157 CC(=C[C@@H]1C[C@H](CCO1)C)C CNP0197945.2 [1,0,0,1,0,0|0,0,1]=3 186 B11R1.157 CC(=C[C@H]1C[C@@H](CCO1)C)C CNP0197945.1 [1,0,0,1,0,0|0,0,1]=3 187 B11R1.157 CC(=C[C@H]1C[C@H](CCO1)C)C CNP0197945.3 [1,0,0,1,0,0|0,0,1]=3 188 B11R1.166 C=C(C)[C@@H]1CC[C@@H](CC1=O)C CNP0179926.4 [1,0,0,1,0,0|0,0,2]=4 189 B11R1.166 C=C(C)[C@@H]1CC[C@H](CC1=O)C CNP0179926.1 [1,0,0,1,0,0|0,0,2]=4 190 B11R1.166 C=C(C)[C@H]1CC[C@@H](CC1=O)C CNP0179926.2 [1,0,0,1,0,0|0,0,2]=4 191 B11R1.166 C=C(C)[C@H]1CC[C@H](CC1=O)C CNP0179926.3 [1,0,0,1,0,0|0,0,2]=4 192 B11R1.166 C=C1CC(CCC1=C(C)C)C CNP0084860.0 [1,0,0,1,0,0|1,0,0]=3 193 B11R1.166 CC(=C1CC[C@@H](CC1=O)C)C CNP0270635.2 [1,0,0,1,0,0|0,0,0]=2 194 B11R1.166 CC(=C1CC[C@@H](C[C@H]1O)C)C CNP0199137.2 [1,0,0,1,0,0|0,0,1]=3 195 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C CNP0270635.1 [1,0,0,1,0,0|0,0,0]=2 196 B11R1.166 CC(=C1CC[C@H](C[C@H]1O)C)C CNP0199137.1 [1,0,0,1,0,0|0,0,1]=3 197 B11R1.166 CC(=O)[C@@H]1CC[C@@H](CC1=O)C CNP0076630.1 [1,0,0,1,0,0|1,0,1]=4 198 B11R1.166 CC(C)C1=CC[C@@H](CC1=O)C CNP0370138.1 [1,0,0,1,0,0|0,0,2]=4 199 B11R1.166 CC(C)C1CC[C@H](CC1=O)C CNP0219935.2 [1,0,0,1,0,0|0,0,2]=4 200 B11R1.166 CC(C)[C@@H]1CC[C@@H](CC1=O)C CNP0219935.5 [1,0,0,1,0,0|0,0,2]=4 201 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C CNP0219935.1 [1,0,0,1,0,0|0,0,2]=4 202 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C CNP0219935.3 [1,0,0,1,0,0|0,0,2]=4 203 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C CNP0219935.4 [1,0,0,1,0,0|0,0,2]=4 204 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 CNP0331919.0 [1,0,0,1,0,0|0,0,2]=4 205 B11R1.166 CC1CCC(=C(C1)O)C(C)C CNP0029188.0 [1,0,0,1,0,0|0,0,1]=3 206 B11R1.424 CC1CCCC(C1C=O)(C)C CNP0502329.0 [1,0,0,1,0,0|0,0,2]=4 207 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [1,0,0,1,0,0|0,0,2]=4 208 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [1,0,0,1,0,0|0,0,2]=4 209 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [1,0,0,1,0,0|0,0,2]=4 210 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [1,0,0,1,0,0|0,0,2]=4 211 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [1,0,0,1,0,0|0,0,2]=4 212 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CNP0339539.1 [1,0,0,1,0,0|2,0,0]=4 213 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O CNP0339539.2 [1,0,0,1,0,0|2,0,0]=4 214 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,0,0,1,1,0|0,0,1]=3 215 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,0,0,1,1,0|1,0,1]=4 216 B11R1.21 C=C(C)C1=CC(=O)[C@@H](CC1)C CNP0216414.1 [0,0,0,1,1,0|1,0,1]=4 217 B11R1.21 CC(=C1CCC(C(=O)C1)C)C CNP0497643.0 [0,0,0,1,1,0|1,0,0]=3 218 B11R1.21 CC(C)C1=CC(=O)[C@H](CC1)C CNP0214671.1 [0,0,0,1,1,0|1,0,1]=4 219 B11R1.80 CC(=O)C[C@@H]1C[C@@H](C(=O)O1)C CNP0237623.3 [0,0,0,1,1,0|1,0,1]=4 220 B11R1.80 CC(=O)C[C@@H]1C[C@H](C(=O)O1)C CNP0237623.2 [0,0,0,1,1,0|1,0,1]=4 221 B11R1.80 CC(=O)C[C@H]1C[C@H](C(=O)O1)C CNP0237623.1 [0,0,0,1,1,0|1,0,1]=4 222 B11R1.730 CC1(C[C@@H](CCO1)C(=O)O)C CNP0383185.1 [0,0,0,1,1,0|1,0,1]=4 223 B11R1.730 CC1(C[C@H](CCO1)C(=O)O)C CNP0383185.2 [0,0,0,1,1,0|1,0,1]=4 224 B11R1.1386 CC1(CCC[C@]1(C)C(=O)O)C CNP0129719.1 [0,0,0,1,1,0|0,0,2]=4 225 B13R1.165 CC1CCC(C(C1)C(=O)O)C(C)C CNP0085712.0 [0,0,0,1,0,1|0,0,2]=4 226 B13R1.8376 CC1=CC(=O)C[C@@](O1)(C)CC(=O)O CNP0265647.1 [0,1,0,1,0,0|1,0,1]=4 227 B13R1.1814 COC(=O)[C@H]1[C@H](CC[C@@H]1C)C(=O)C CNP0264808.1 [0,1,0,1,0,0|1,0,1]=4 228 B13R1.132 CC1=CC[C@@H](CC1)/C(=C/C(=O)O)/C CNP0357511.1 [0,1,0,1,0,0|0,0,2]=4 229 B13R1.7659 CC(=O)CC[C@H]1[C@@H]([C@]1(C)C(=O)O)C CNP0530461.1 [0,1,0,1,0,0|1,0,1]=4 230 B13R1.7659 CC(=O)CC[C@H]1[C@H]([C@]1(C)C(=O)O)C CNP0530461.2 [0,1,0,1,0,0|1,0,1]=4 231 B13R2.5151 C=C1COC(=O)[C@H]2[C@@H]1CC[C@@H]2C CNP0273766.1 [0,0,0,2,0,0|0,0,2]=4 232 B13R2.5151 CC1=COC(=O)C2=C1CC[C@@H]2C CNP0364316.1 [0,0,0,2,0,0|0,0,2]=4 233 B13R2.5151 CC1=COC(=O)[C@@H]2[C@@H]1CC[C@@H]2C CNP0391394.1 [0,0,0,2,0,0|0,0,2]=4 234 B13R2.5151 CC1=COC(=O)[C@@H]2[C@@H]1CC[C@H]2C CNP0391394.5 [0,0,0,2,0,0|0,0,2]=4 235 B13R2.5151 CC1=COC(=O)[C@@H]2[C@H]1CC[C@@H]2C CNP0391394.2 [0,0,0,2,0,0|0,0,2]=4 236 B13R2.5151 CC1=COC(=O)[C@@H]2[C@H]1CC[C@H]2C CNP0391394.6 [0,0,0,2,0,0|0,0,2]=4 237 B13R2.5151 CC1=COC(=O)[C@H]2[C@@H]1CC[C@@H]2C CNP0391394.3 [0,0,0,2,0,0|0,0,2]=4 238 B13R2.5151 CC1=COC(=O)[C@H]2[C@@H]1CC[C@H]2C CNP0391394.4 [0,0,0,2,0,0|0,0,2]=4 239 B13R2.5151 C[C@@H]1COC(=O)[C@@H]2[C@@H]1CC[C@@H]2C CNP0142997.5 [0,0,0,2,0,0|0,0,2]=4 240 B13R2.5151 C[C@@H]1COC(=O)[C@@H]2[C@H]1CC[C@@H]2C CNP0142997.6 [0,0,0,2,0,0|0,0,2]=4 241 B13R2.5151 C[C@@H]1COC(=O)[C@H]2[C@@H]1CC[C@@H]2C CNP0142997.3 [0,0,0,2,0,0|0,0,2]=4 242 B13R2.5151 C[C@@H]1COC(=O)[C@H]2[C@H]1CC[C@@H]2C CNP0142997.4 [0,0,0,2,0,0|0,0,2]=4 243 B13R2.5151 C[C@H]1COC(=O)[C@@H]2[C@@H]1CC[C@@H]2C CNP0142997.2 [0,0,0,2,0,0|0,0,2]=4 244 B13R2.5151 C[C@H]1COC(=O)[C@H]2[C@@H]1CC[C@@H]2C CNP0142997.1 [0,0,0,2,0,0|0,0,2]=4 245 B9R0.47 C/C=C/SC[C@H](N)C(=O)O CNP0158331.1 [1,0,0,0,1,0|2,0,0]=4 246 B9R0.47 C/C=C\SC[C@H](N)C(=O)O CNP0158331.2 [1,0,0,0,1,0|2,0,0]=4 247 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [1,0,0,0,1,0|0,0,2]=4 248 B9R0.55 C=C(C)CCCC=C(C)C CNP0556185.0 [1,0,0,0,1,0|2,0,0]=4 249 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [1,0,0,0,1,0|1,0,0]=3 250 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,0,0,0,1,0|1,0,1]=4 251 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [1,0,0,0,1,0|2,0,0]=4 252 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [1,0,0,0,1,0|1,0,1]=4 253 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [1,0,0,0,1,0|0,0,1]=3 254 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [1,0,0,0,1,0|1,0,0]=3 255 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [1,0,0,0,1,0|1,0,0]=3 256 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [1,0,0,0,1,0|2,0,0]=4 257 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,0,0,0,2,0|2,0,0]=4 258 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,0,0,0,2,0|1,0,1]=4 259 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,0,0,0,2,0|1,0,0]=3 260 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,0,0,0,2,0|1,0,0]=3 261 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,0,0,0,2,0|2,0,0]=4 262 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,0,0,0,2,0|2,0,0]=4 263 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,0,0,0,2,0|1,0,1]=4 264 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,0,0,0,2,0|2,0,0]=4 265 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,0,0,0,2,0|2,0,0]=4 266 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,0,0,0,2,0|2,0,0]=4 267 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,0,0,0,2,0|2,0,0]=4 268 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,0,0,0,2,0|2,0,0]=4 269 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,0,0,0,2,0|2,0,0]=4 270 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,0,0,0,2,0|2,0,0]=4 271 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,0,0,0,2,0|2,0,0]=4 272 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,0,0,0,2,0|1,0,1]=4 273 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,0,0,0,2,0|2,0,0]=4 274 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,0,0,0,2,0|1,0,1]=4 275 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,0,0,0,2,0|1,0,1]=4 276 B9R0.53 CC(CC(=O)O)CC(=O)O CNP0316583.0 [0,0,0,0,2,0|2,0,0]=4 277 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [1,0,0,0,0,1|0,0,2]=4 278 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [1,0,0,0,0,1|1,0,1]=4 279 B11R0.30 CC(C)C=CCCCCC(=O)N CNP0507586.0 [1,0,0,0,0,1|1,0,1]=4 280 B11R0.30 CC(C)C=CCCCCC(=O)O CNP0063333.0 [1,0,0,0,0,1|0,0,1]=3 281 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [1,0,0,0,0,1|0,0,2]=4 282 B11R0.30 O=C(O)C=CCCCCC(=O)O CNP0084482.0 [1,0,0,0,0,1|2,0,0]=4 283 B13R0.182 CC(C)CCCC[C@H](C)CCC(=O)O CNP0425887.1 [0,0,0,0,0,2|0,0,2]=4 284 B13R0.1398 CC(=CCCC(=CCCC(=O)O)C)C CNP0587564.0 [0,0,0,0,0,2|0,0,1]=3 285 B13R0.1398 CC(=CCCC(C)CCCC(=O)O)C CNP0536242.0 [0,0,0,0,0,2|0,0,0]=2 286 B13R0.1398 CC(=O)CCC=C(C)CCC=C(C)C CNP0288544.0 [0,0,0,0,0,2|1,0,1]=4 287 B13R0.1398 CC(=O)CCCC(C)CCC=C(C)C CNP0351132.0 [0,0,0,0,0,2|1,0,0]=3 288 B13R0.1398 CC(=O)OCC=C(C)CCC=C(C)C CNP0301697.0 [0,0,0,0,0,2|1,0,1]=4 289 B13R0.1398 CC(=O)OCC[C@@H](C)CCC=C(C)C CNP0277078.2 [0,0,0,0,0,2|1,0,0]=3 290 B13R0.1398 CC(=O)OCC[C@H](C)CCC=C(C)C CNP0277078.1 [0,0,0,0,0,2|1,0,0]=3