0 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,0,0,0,0|0,1,3]=4 1 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,0,0,0,0,0|1,1,2]=4 2 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.5 CC(O)C(C)O HMDB0003156 [0,0,0,0,0,0|1,1,0]=2 4 B5R0.5 CC(S)C(C)S HMDB0031157 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,0,0,0,0,0|2,1,1]=4 10 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|1,1,1]=4 11 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|1,1,1]=4 12 B4R0.1 CC(=O)CS HMDB0030025 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(C)C=O HMDB0031243 [1,0,0,0,0,0|0,1,1]=3 14 B4R0.1 CC(C)CO HMDB0006006 [1,0,0,0,0,0|0,1,0]=2 15 B4R0.1 CC(C)CS HMDB0031245 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.1 CC(Cl)CO HMDB0031335 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.1 CC(N)CN HMDB0013136 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CC(O)CN HMDB0012136 [1,0,0,0,0,0|1,1,0]=3 19 B4R0.1 CC(S)CS HMDB0031631 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|0,1,1]=3 21 B4R0.1 CCC(C)N HMDB0032179 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 CCC(C)O HMDB0011469 [1,0,0,0,0,0|0,1,0]=2 23 B4R0.1 CN(C)N=O HMDB0031419 [1,0,0,0,0,0|2,1,0]=4 24 B4R0.1 COC(C)=O HMDB0031523 [1,0,0,0,0,0|1,1,1]=4 25 B4R0.1 CSC(C)=O HMDB0031189 [1,0,0,0,0,0|1,1,1]=4 26 B4R0.1 C[C@@H](O)C=O HMDB0006458 [1,0,0,0,0,0|1,1,1]=4 27 B4R0.1 C[C@H](O)C=O HMDB0003052 [1,0,0,0,0,0|1,1,1]=4 28 B4R0.1 C[C@H](O)CO HMDB0006213 [1,0,0,0,0,0|1,1,0]=3 29 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,1,0,0,0,0|0,1,1]=3 31 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,1,0,0,0,0|1,1,1]=4 34 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,1,0,0,0,0|0,1,1]=3 35 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,1,0,0,0,0|1,1,1]=4 36 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,1,0,0,0,0|1,1,1]=4 38 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,1,0,0,0,0|1,1,1]=4 39 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [0,1,0,0,0,0|1,1,1]=4 40 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,0,1|0,1,2]=4 42 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,0,0,0,1|0,1,1]=3 43 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,0,1|1,1,1]=4 44 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,0,1|0,1,1]=3 45 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,0,0,0,0,1|1,0,0]=2 46 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,0,1|1,0,1]=3 47 B3R0.1 CCC=O HMDB0003366 [2,0,0,0,0,0|0,1,1]=4 48 B3R0.1 CCCO HMDB0000820 [2,0,0,0,0,0|0,1,0]=3 49 B3R0.1 CCSC HMDB0031238 [2,0,0,0,0,0|1,0,0]=3 50 B3R0.1 COCCl HMDB0031332 [2,0,0,0,0,0|2,0,0]=4 51 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|2,0,0]=4 52 B3R0.1 CSCS HMDB0032428 [2,0,0,0,0,0|1,0,0]=3 53 B3R0.1 CSSC HMDB0005879 [2,0,0,0,0,0|2,0,0]=4 54 B3R0.1 CS[Se]C HMDB0030879 [2,0,0,0,0,0|2,0,0]=4 55 B3R0.1 ClCCCl HMDB0029571 [2,0,0,0,0,0|2,0,0]=4 56 B3R0.1 NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4 57 B3R0.1 NCCO HMDB0000149 [2,0,0,0,0,0|1,1,0]=4 58 B3R0.1 NCCS HMDB0002991 [2,0,0,0,0,0|1,0,0]=3 59 B3R0.1 OCCO HMDB0032262 [2,0,0,0,0,0|1,1,0]=4 60 B3R0.1 SCC=C HMDB0031635 [2,0,0,0,0,0|0,0,2]=4 61 B3R0.1 SCCS HMDB0031707 [2,0,0,0,0,0|1,0,0]=3 62 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,1,1]=4 63 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,1,0]=3 64 B3R0.2 CC(C)S HMDB0031634 [2,0,0,0,0,0|0,0,0]=2 65 B3R0.2 CC(S)=O HMDB0031188 [2,0,0,0,0,0|1,0,1]=4 66 B3R0.2 CC(S)S HMDB0032253 [2,0,0,0,0,0|1,0,0]=3 67 B3R0.2 C[As](C)O HMDB0012216 [2,0,0,0,0,0|1,1,0]=4 68 B3R0.2 C[S+](C)C HMDB0012295 [2,0,0,0,0,0|1,0,0]=3 69 B3R0.2 C[Se+](C)C HMDB0042052 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.1 CC(=C)CCO HMDB0030126 [1,1,0,0,0,0|0,0,2]=4 71 B5R0.1 CC(C)=CCO HMDB0030124 [1,1,0,0,0,0|0,0,2]=4 72 B5R0.1 CC(C)=CCS HMDB0031529 [1,1,0,0,0,0|0,0,1]=3 73 B5R0.1 CC(C)CCN HMDB0031659 [1,1,0,0,0,0|0,0,0]=2 74 B5R0.1 CC(C)CCO HMDB0006007 [1,1,0,0,0,0|0,0,0]=2 75 B5R0.1 CC(O)CCO HMDB0031320 [1,1,0,0,0,0|0,1,0]=3 76 B5R0.1 CCNC(C)=O HMDB0031215 [1,1,0,0,0,0|0,1,1]=4 77 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|0,1,1]=4 78 B5R0.1 CCSC(C)=O HMDB0031190 [1,1,0,0,0,0|0,1,1]=4 79 B5R0.1 CN(C)CCO HMDB0032231 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.3 CCC(=O)CO HMDB0031507 [1,1,0,0,0,0|0,1,1]=4 81 B5R0.3 CCC(=O)OC HMDB0030062 [1,1,0,0,0,0|0,1,1]=4 82 B5R0.3 CCC(=O)SC HMDB0031192 [1,1,0,0,0,0|0,1,1]=4 83 B5R0.3 CCC(C)C=O HMDB0031526 [1,1,0,0,0,0|0,0,1]=3 84 B5R0.3 CCC(C)CN HMDB0032392 [1,1,0,0,0,0|0,0,0]=2 85 B5R0.3 CCC(C)CO HMDB0031527 [1,1,0,0,0,0|0,0,0]=2 86 B5R0.3 CCC(O)C=C HMDB0031605 [1,1,0,0,0,0|0,1,1]=4 87 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,1,0,0,0,0|0,0,1]=3 88 B5R0.3 COC(C)OC HMDB0030061 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.3 OCC(O)CCl HMDB0031334 [1,1,0,0,0,0|1,1,0]=4 90 B5R0.3 OCC(O)CO HMDB0000131 [1,1,0,0,0,0|1,1,0]=4 91 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,1,0,0,0,1|0,1,1]=4 92 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,0,0,0,1|0,1,1]=4 93 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,0,0,0,1|0,1,1]=4 94 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,0,0,0,1|1,0,1]=4 95 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,1|0,1,1]=4 96 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,0,1|0,1,1]=4 97 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,0,1|0,1,1]=4 98 B7R0.9 CC(O)CC(C)(C)S HMDB0032375 [0,1,0,0,0,1|0,1,0]=3 99 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,1|0,1,1]=4 100 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [0,1,0,0,0,1|1,0,0]=3 101 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,2,0,0,0,0|0,1,1]=4 102 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,2,0,0,0,0|0,1,1]=4 104 B7R0.10 OC[C@@H](O)[C@H](O)CO HMDB0004136 [0,2,0,0,0,0|1,1,0]=4 105 B7R0.10 OC[C@H](O)[C@H](O)CO HMDB0002994 [0,2,0,0,0,0|1,1,0]=4 106 B7R0.10 O[C@@H](CS)[C@@H](O)CS HMDB0013593 [0,2,0,0,0,0|1,1,0]=4 107 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,0,0,1,0,1|0,1,0]=3 108 B7R1.2 CC1SSC(C)S1 HMDB0031470 [0,0,0,1,0,1|1,0,0]=3 109 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,2|0,1,1]=4 110 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,2|0,1,1]=4 111 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,0,2|0,1,1]=4 112 B7R0.6 CC(C)SSC(C)C HMDB0029578 [0,0,0,0,0,2|1,0,0]=3