0 B5R0.1 C=CCS(C)=O HMDB0112254 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CCCC(=O)O HMDB0000039 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CCCC(C)=O HMDB0034235 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 CCOC(C)=O HMDB0031217 [0,0,0,0,0,0|0,0,0]=0 4 B5R0.1 CNCC(=O)O HMDB0000271 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 NCCC(=O)O HMDB0000056 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 NCCS(=O)O HMDB0000965 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 O=C(O)CCO HMDB0000700 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 CC(=O)NO HMDB0014691 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(N)CN HMDB0013136 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(O)CO HMDB0001881 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 CCC(=O)O HMDB0000237 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.1 CNC(=N)N HMDB0001522 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 C\C(O)=N\N HMDB0060428 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 NC(=O)NO HMDB0015140 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 NCC(=O)O HMDB0000123 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 O=C(O)CO HMDB0000115 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 O=CC(=O)O HMDB0000119 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 C=CCSC HMDB0031653 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 CSSSC HMDB0013780 [1,0,0,0,0,0|2,1,0]=4 24 B4R0.2 O=CCC=O HMDB0006112 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 CCCC(=O)CC HMDB0000753 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.1 CCCC(=O)CO HMDB0059678 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.2 C=C(C)CC(=O)O HMDB0170858 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.2 CC(=O)CC(=O)O HMDB0000060 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.2 CC(=O)CC(C)C HMDB0002939 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.2 CC(C)=CC(=O)O HMDB0000509 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.2 CC(C)CC(=O)O HMDB0000718 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.2 CC(O)CC(=O)O HMDB0000357 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.2 CN(C)CC(=O)O HMDB0000092 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.2 C[C@@H](O)CC(=O)O HMDB0000011 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.2 C[C@H](O)CC(=O)O HMDB0000442 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.3 CC(CN)C(=O)O HMDB0003911 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.3 CCC(=O)C(=O)O HMDB0000005 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 CCC(C)C(=O)O HMDB0002176 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.3 CCC(O)C(=O)O HMDB0000008 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.3 CC[C@H](C)C(=O)O HMDB0033742 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.3 C[C@@H](CN)C(=O)O HMDB0002166 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.3 C[C@@H](CO)C(=O)O HMDB0000023 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.3 C[C@H](CO)C(=O)O HMDB0000336 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.3 NC[C@H](N)C(=O)O HMDB0002006 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.3 N[C@@H](CO)C(=O)O HMDB0000187 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.3 N[C@@H](CS)C(=O)O HMDB0000574 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.3 N[C@H](CO)C(=O)O HMDB0003406 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.3 O=C(O)C(=O)CO HMDB0001352 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.3 O=C(O)C(=O)CS HMDB0001368 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.3 O=C(O)C(O)CS HMDB0002127 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.3 O=C(O)[C@@H](O)CO HMDB0006372 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.3 O=C(O)[C@H](O)CO HMDB0000139 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.4 C=CCCC(=O)O HMDB0031602 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.4 CCCCC(=O)O HMDB0000892 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.4 CCCCC(C)=O HMDB0005842 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.4 CSCCC(=O)O HMDB0001527 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.4 NCCCC(=O)O HMDB0000112 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.4 O=C(O)CCCO HMDB0000710 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.4 O=CCCC(=O)O HMDB0001259 [0,1,0,0,0,0|2,0,1]=4 62 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,0,0,1,0,0|1,0,2]=4 63 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3 64 B3R0.1 C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,2]=4 65 B3R0.1 CSSC HMDB0005879 [2,0,0,0,0,0|1,1,0]=4 66 B3R0.2 CC(=O)O HMDB0000042 [2,0,0,0,0,0|0,0,0]=2 67 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,0]=2 68 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,2]=4 69 B3R0.2 CN(C)C HMDB0000906 [2,0,0,0,0,0|2,0,0]=4 70 B3R0.2 NC(N)=O HMDB0000294 [2,0,0,0,0,0|2,0,0]=4 71 B3R0.2 O=C(O)O HMDB0000595 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.2 O=S(O)O HMDB0000240 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.3 O=C(CO)CO HMDB0001882 [1,1,0,0,0,0|1,0,0]=3 74 B5R0.5 CC(=O)C(=O)O HMDB0000243 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.5 CC(=O)C(C)O HMDB0003243 [1,1,0,0,0,0|0,0,0]=2 76 B5R0.5 CC(C)C(=O)O HMDB0001873 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.5 C[C@@H](O)C(=O)O HMDB0000190 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.5 C[C@@H](O)C(=O)O HMDB0001311 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.5 C[C@H](N)C(=O)O HMDB0000161 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.2 CC(CO)CC(=O)O HMDB0002011 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.2 CCC(O)CC(=O)O HMDB0000531 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.2 O=C(O)CC(O)CO HMDB0000337 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.3 NCC(=O)OCCO HMDB0061148 [0,2,0,0,0,0|0,0,0]=2 84 B7R0.5 CCCC(=O)C(=O)O HMDB0001865 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.5 CCCC(O)C(=O)O HMDB0001863 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.5 CCC[C@@H](N)C(=O)O HMDB0013716 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.5 CSC[C@H](N)C(=O)O HMDB0002108 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.5 NC(CCS)C(=O)O HMDB0000742 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.5 NCCC(N)C(=O)O HMDB0002362 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.5 NCC[C@H](N)C(=O)O HMDB0006284 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.5 N[C@@H](CCO)C(=O)O HMDB0000719 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.5 O=C(O)C(O)CCO HMDB0000360 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.9 CC(C)(O)CC(=O)O HMDB0000754 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.16 CC(C)C(=O)C(=O)O HMDB0000019 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.16 CC(C)C(O)C(=O)O HMDB0000407 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.16 CC(C)[C@H](N)C(=O)O HMDB0000883 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.16 CC(O)C(C)C(=O)O HMDB0000354 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O HMDB0000498 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HMDB0000167 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O HMDB0002453 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.16 C[C@H](O)[C@H](N)C(=O)O HMDB0004041 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.13 CCC(C)(O)C(=O)O HMDB0001987 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.15 CCC(CO)C(=O)O HMDB0000396 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.4 CCCCCC(=O)O HMDB0000535 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.4 NCCCCC(=O)O HMDB0003355 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.4 NCCOCC(=O)O HMDB0060587 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.6 CC(=O)CCC(=O)O HMDB0000720 [0,2,0,0,0,0|1,0,1]=4 110 B7R0.6 CC(=O)CCC(C)C HMDB0031549 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.6 CC(=O)NCC(=O)O HMDB0000532 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.6 CC(C)CCC(=O)O HMDB0000689 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.8 NCCOP(=O)(O)O HMDB0000224 [0,2,0,0,0,0|2,0,0]=4 114 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,1,0,1,0,0|0,0,0]=2 116 B7R1.4 NN1CCOC1=O HMDB0060739 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.4 N[C@@H]1CONC1=O HMDB0014405 [0,1,0,1,0,0|2,0,0]=4