0 B6R0.5 CCOP(O)(O)=O HMDB0012228 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.5 CCOS(O)(=O)=O HMDB0031233 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.5 NCCP(O)(O)=O HMDB0011747 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.5 NCCS(O)(=O)=O HMDB0000251 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.5 OCCS(O)(=O)=O HMDB0003903 [0,0,0,0,0,0|0,1,0]=1 5 B6R0.5 OS(=O)(=O)CCS HMDB0003745 [0,0,0,0,0,0|0,0,0]=0 6 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|2,1,0]=4 7 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|1,1,1]=4 14 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|1,1,0]=3 16 B5R0.4 CSS(C)(=O)=O HMDB0031832 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.8 NCCOP(O)(O)=O HMDB0000224 [0,1,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|2,0,0]=4 19 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|2,0,0]=4 20 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|2,0,0]=4 21 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|2,0,0]=4 22 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|1,1,0]=4 24 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,1]=4 28 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|1,1,0]=4 30 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|1,1,0]=4 31 B4R0.3 CS(C)(=O)=O HMDB0004983 [2,0,0,0,0,0|1,0,0]=3 32 B4R0.3 C[As](O)(O)=O HMDB0012258 [2,0,0,0,0,0|1,0,1]=4 33 B4R0.3 [O-]S([O-])(=O)=O HMDB0001448 [2,0,0,0,0,0|0,1,1]=4 34 B4R0.3 [O-]S([S-])(=O)=O HMDB0000257 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|1,1,0]=4 39 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|1,1,0]=4 41 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|1,1,0]=4 42 B6R0.3 CC(CN)C(O)=O HMDB0003911 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 CCC(O)C(O)=O HMDB0000008 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [1,1,0,0,0,0|1,1,0]=4 50 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [1,1,0,0,0,0|1,1,0]=4 52 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [1,1,0,0,0,0|1,1,0]=4 54 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [1,1,0,0,0,0|1,1,0]=4 56 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [1,1,0,0,0,0|1,1,0]=4 57 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.3 OC(CS)C(O)=O HMDB0002127 [1,1,0,0,0,0|1,0,0]=3 60 B6R0.3 OCC(O)C(O)=O HMDB0031818 [1,1,0,0,0,0|1,1,0]=4 61 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [1,1,0,0,0,0|1,1,0]=4 62 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [1,1,0,0,0,0|1,1,0]=4 63 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.4 NCCNN(=O)=O HMDB0031226 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|1,1,0]=4 72 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|1,1,0]=4 73 B8R0.14 N[C@@H](CCS)S(O)(=O)=O HMDB0002238 [0,2,0,0,0,0|0,0,0]=2 74 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|2,0,0]=4 75 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|2,0,0]=4