0 B6R0.5 C=CCS(C)(=O)=O HMDB0112255 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 NCCP(=O)(O)O HMDB0011747 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.5 NCCS(=O)(=O)O HMDB0000251 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.5 O=S(=O)(O)CCO HMDB0003903 [0,0,0,0,0,0|0,1,0]=1 4 B5R0.1 CCCC(=O)O HMDB0000039 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CCCC(C)=O HMDB0034235 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 CNCC(=O)O HMDB0000271 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 NCCC(=O)O HMDB0000056 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 NCCS(=O)O HMDB0000965 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 O=C(O)CCO HMDB0000700 [1,0,0,0,0,0|1,1,0]=3 10 B7R0.8 NCCOP(=O)(O)O HMDB0000224 [0,1,0,0,0,0|2,0,1]=4 11 B4R0.1 CCC(=O)O HMDB0000237 [2,0,0,0,0,0|1,0,0]=3 12 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|2,0,0]=4 13 B4R0.1 NCC(=O)O HMDB0000123 [2,0,0,0,0,0|2,0,0]=4 14 B4R0.1 O=C(O)CO HMDB0000115 [2,0,0,0,0,0|1,1,0]=4 15 B4R0.3 CS(C)(=O)=O HMDB0004983 [2,0,0,0,0,0|1,0,0]=3 16 B4R0.3 C[As](C)(=O)O HMDB0011625 [2,0,0,0,0,0|2,0,0]=4 17 B4R0.3 C[As](C)(=O)O HMDB0094715 [2,0,0,0,0,0|2,0,0]=4 18 B4R0.3 NS(=O)(=O)O HMDB0034830 [2,0,0,0,0,0|1,0,0]=3 19 B4R0.3 O=S(=O)(O)O HMDB0001448 [2,0,0,0,0,0|0,1,0]=3 20 B4R0.3 O=S(=O)(O)S HMDB0000257 [2,0,0,0,0,0|0,0,0]=2 21 B4R0.3 O=[Se](=O)(O)O HMDB0062761 [2,0,0,0,0,0|0,2,0]=4 22 B6R0.1 CCCC(=O)CO HMDB0059678 [1,1,0,0,0,0|2,0,0]=4 23 B6R0.2 CC(C)CC(=O)O HMDB0000718 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.2 CC(O)CC(=O)O HMDB0000357 [1,1,0,0,0,0|1,1,0]=4 25 B6R0.2 C[C@@H](O)CC(=O)O HMDB0000011 [1,1,0,0,0,0|1,1,0]=4 26 B6R0.2 C[C@H](O)CC(=O)O HMDB0000442 [1,1,0,0,0,0|1,1,0]=4 27 B6R0.3 CC(CN)C(=O)O HMDB0003911 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.3 CCC(C)C(=O)O HMDB0002176 [1,1,0,0,0,0|2,0,0]=4 29 B6R0.3 CCC(O)C(=O)O HMDB0000008 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.3 CC[C@H](C)C(=O)O HMDB0033742 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.3 C[C@@H](CN)C(=O)O HMDB0002166 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.3 C[C@@H](CO)C(=O)O HMDB0000023 [1,1,0,0,0,0|1,1,0]=4 35 B6R0.3 C[C@H](CO)C(=O)O HMDB0000336 [1,1,0,0,0,0|1,1,0]=4 36 B6R0.3 NC[C@H](N)C(=O)O HMDB0002006 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.3 N[C@@H](CO)C(=O)O HMDB0000187 [1,1,0,0,0,0|1,1,0]=4 38 B6R0.3 N[C@@H](CS)C(=O)O HMDB0000574 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.3 N[C@H](CO)C(=O)O HMDB0003406 [1,1,0,0,0,0|1,1,0]=4 40 B6R0.3 O=C(O)C(=O)CS HMDB0001368 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.3 O=C(O)C(O)CS HMDB0002127 [1,1,0,0,0,0|1,0,0]=3 42 B6R0.3 O=C(O)[C@@H](O)CO HMDB0006372 [1,1,0,0,0,0|1,1,0]=4 43 B6R0.3 O=C(O)[C@H](O)CO HMDB0000139 [1,1,0,0,0,0|1,1,0]=4 44 B6R0.4 C=CCCC(=O)O HMDB0031602 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.4 CCCCC(=O)O HMDB0000892 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.4 CSCCC(=O)O HMDB0001527 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.4 NCCCC(=O)O HMDB0000112 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.4 O=C(O)CCCO HMDB0000710 [1,1,0,0,0,0|1,1,0]=4 49 B6R0.4 O=CCCC(=O)O HMDB0001259 [1,1,0,0,0,0|1,1,0]=4