0 B15R0.164 BrCCCCCCCCCCCCC(=O)O 1P007XWZ [1,0,0,0,0,0|1,0,2]=4 1 B15R0.164 CCCCCCCCCCCCCC(=O)C 1P002NQU [1,0,0,0,0,0|1,0,2]=4 2 B15R0.164 CCCCCCCCCCCCCC(=O)N 1P003TU9 [1,0,0,0,0,0|1,0,2]=4 3 B15R0.164 CCCCCCCCCCCCCC(=O)O 1P00E0SL [1,0,0,0,0,0|0,0,2]=3 4 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] 1P003UTV [1,0,0,0,0,0|0,0,3]=4 5 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] 1P009AWO [1,0,0,0,0,0|0,0,3]=4 6 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] 1P009CTY [1,0,0,0,0,0|0,0,3]=4 7 B15R0.164 CCCCCCCCCCCCC[13C](=O)O 1P00EE4V [1,0,0,0,0,0|0,0,2]=3 8 B15R0.164 CCCCCCCCCCCSCC(=O)O 1P000CL3 [1,0,0,0,0,0|1,0,2]=4 9 B15R0.164 CCCCCCCCCCNCCC(=O)O 1P01A00D [1,0,0,0,0,0|1,0,1]=3 10 B15R0.164 OCCCCCCCCCCCCC(=O)O 1P008NLL [1,0,0,0,0,0|1,0,2]=4 11 B15R0.193 CCCCCCC(CCCCCC(=O)O)O 1P024HV3 [1,0,0,0,0,0|0,0,2]=3 12 B15R0.129 CCCCCCCC(CCCCC(=O)O)O 1P024IBH [0,0,0,0,1,0|0,0,1]=2 13 B17R0.78 CCCCCCCC(CCCCCCC(=O)O)O 1P024HU0 [0,0,0,0,0,1|0,0,2]=3 14 B14R0.392 CCCCCCCCCCCCCC=O 1P000LU0 [2,0,0,0,0,0|0,0,2]=4 15 B14R0.394 BrCCCCCCCCCCCC(=O)O 1P00334P [2,0,0,0,0,0|1,0,1]=4 16 B14R0.394 CCCCCCCCCCCCC(=O)C 1P002NQV [2,0,0,0,0,0|1,0,1]=4 17 B14R0.394 CCCCCCCCCCCCC(=O)O 1P003VHU [2,0,0,0,0,0|0,0,1]=3 18 B14R0.394 CCCCCCCCCC\C=C\C(=O)O 1P003IF3 [2,0,0,0,0,0|0,0,2]=4 19 B14R0.394 NCCCCCCCCCCCC(=O)O 1P003EBT [2,0,0,0,0,0|1,0,1]=4 20 B14R0.394 OCCCCCCCCCCCC(=O)O 1P0037MJ [2,0,0,0,0,0|1,0,1]=4 21 B14R0.231 CCCCCC(CCCCCC(=O)O)O 1P01DXP9 [2,0,0,0,0,0|0,0,2]=4 22 B16R0.41 CCCC(CCCCCCCCCC(=O)O)O 1P0029C7 [1,1,0,0,0,0|0,0,2]=4 23 B16R0.131 CCCCC(CCCCCCCCC(=O)O)O 1P0251DX [1,1,0,0,0,0|0,0,2]=4 24 B16R0.165 CCC(CCCCCCCCCCC(=O)O)C 1P00DCZS [1,1,0,0,0,0|0,0,2]=4 25 B16R0.177 CCCCCCC(CCCCCCC(=O)O)O 1P01E4GV [1,1,0,0,0,0|0,0,2]=4 26 B16R0.221 CCCCCCCCCCCCCC(=O)OC 1P000LTH [1,1,0,0,0,0|0,0,2]=4 27 B16R0.224 CCCCCCCCCCCCC(C(=O)O)Br 1P007XEB [1,1,0,0,0,0|0,0,2]=4 28 B16R0.224 CCCCCCCCCCCCC(C(=O)O)N 1P005UUD [1,1,0,0,0,0|0,0,2]=4 29 B16R0.224 CCCCCCCCCCCCC(C(=O)O)O 1P002QUD [1,1,0,0,0,0|0,0,2]=4 30 B16R0.224 CCCCCCCCCCCC[C@@H](C(=O)O)N 1P000U25 [1,1,0,0,0,0|0,0,2]=4 31 B16R0.274 BrCCCCCCCCCCCCCC(=O)O 1P01JM8T [1,1,0,0,0,0|0,0,2]=4 32 B16R0.274 CCCCCCCCCCCCCCC(=O)O 1P0001OM [1,1,0,0,0,0|0,0,2]=4 33 B16R0.274 CCCCCCCCCCCCNCC(=O)O 1P006X3Y [1,1,0,0,0,0|0,0,2]=4 34 B16R0.274 CCCCCCCCCCNCCCC(=O)O 1P019UJI [1,1,0,0,0,0|0,0,2]=4 35 B16R0.274 OCCCCCCCCCCCCCC(=O)O 1P003ATI [1,1,0,0,0,0|0,0,2]=4 36 B16R0.274 SCCCCCCCCCCCCCC(=O)O 1P0075JP [1,1,0,0,0,0|0,0,2]=4 37 B16R0.302 CCCCCCCCCCCC(CC(=O)O)O 1P00CNZK [1,1,0,0,0,0|0,0,2]=4 38 B16R0.302 CCCCCCCCCCC[C@H](CC(=O)O)O 1P002WOO [1,1,0,0,0,0|0,0,2]=4 39 B16R0.1469 CCCCCC(CCCCCCCC(=O)O)O 1P01DXOM [1,1,0,0,0,0|0,0,2]=4 40 B16R0.1820 CCCCCCCCC(CCCCC(=O)O)O 1P0020D6 [1,1,0,0,0,0|0,0,2]=4 41 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O 1P0054LQ [1,1,0,0,0,0|1,0,1]=4 42 B16R0.3288 CC(CCCCCCCCCCCC(=O)O)O 1P00B3QM [1,1,0,0,0,0|0,0,2]=4 43 B18R0.94 CCCCCCCCC(CCCCCCC(=O)O)O 1P01P05E [0,1,0,0,0,1|0,0,2]=4 44 B18R0.11628 CCCCCCCCCC(CCCCCC(=O)O)O 1P00B3QI [0,2,0,0,0,0|0,0,2]=4 45 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 1P003PQ9 [1,0,0,1,0,0|0,0,2]=4 46 B14R0.2224 CCCCCCC(CCCCC(=O)O)O 1P00CYY1 [1,0,0,0,1,0|0,0,1]=3 47 B14R0.2 CCCCCCCC(=O)CCCC(=O)O 1P007AKB [0,0,0,0,2,0|0,0,2]=4 48 B14R0.2 CCCCCCCC(CCCC(=O)O)O 1P00GF5U [0,0,0,0,2,0|0,0,0]=2 49 B18R0.7250 CCCCCCCC(CCCCCCCC(=O)O)O 1P01REF7 [0,0,0,0,0,2|0,0,2]=4