0 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,0,0|1,0,1]=2 10 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,0,0|1,1,1]=3 13 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,0,0,0,0|0,0,1]=2 22 B5R0.1 CC(C)=CC=O HMDB0012157 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|0,0,1]=2 26 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|0,1,1]=3 29 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,0,0,0,0|1,0,1]=3 34 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,1,0,0,0,0|1,0,0]=2 35 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,0,0,0,0|1,1,1]=4 38 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,0|1,1,1]=4 39 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,0,0|1,1,1]=4 41 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.9 CC(=O)OP(O)(O)=O HMDB0001494 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.9 NC(=O)OP(O)(O)=O HMDB0001096 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,0,0,1,0,0|0,0,0]=1 54 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,0,0,1,0|1,0,0]=2 55 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,0,0,0,1,0|0,0,0]=1 56 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,0,0,0,1,0|1,0,0]=2 57 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,0,0,0,1,0|2,0,1]=4 58 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,1,0|1,1,1]=4 59 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,0,0,0,1,0|2,0,1]=4 60 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,0,0,0,1,0|1,0,2]=4 61 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,0,0,0,1,0|2,0,1]=4 62 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,0,0,0,1,0|1,0,2]=4 63 B5R0.5 OC(=O)C(O)=O HMDB0002329 [0,0,0,0,1,0|2,0,0]=3 64 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,0,0,0,0,1|2,0,0]=3 65 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,0,0,0,0,1|2,0,0]=3 66 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,0,0,0,0,1|2,0,0]=3 67 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,1|2,0,1]=4 68 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,1|2,0,1]=4 69 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,0,1|1,0,1]=3 70 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,0,0,0,0,1|3,0,0]=4 71 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,0,0,0,0,1|3,0,0]=4 72 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [0,0,0,0,0,1|3,0,0]=4 73 B4R0.1 CC(=C)C=C HMDB0032344 [2,0,0,0,0,0|1,0,1]=4 74 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|0,0,0]=2 75 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|0,0,2]=4 77 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|0,1,1]=4 78 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|0,0,1]=3 79 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,1]=3 81 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|0,0,0]=2 82 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|0,1,0]=3 83 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|0,0,2]=4 84 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|0,0,2]=4 85 B4R0.1 NC(=O)C=C HMDB0004296 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 NC(=O)C=C HMDB0032161 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.1 OC(=O)C=O HMDB0000119 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|1,0,1]=4 90 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|0,0,1]=3 91 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|2,0,0]=4 93 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|0,0,1]=3 99 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.4 CC(C)COC=O HMDB0031247 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,1]=4 111 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,1,0,0,0,0|2,0,0]=4 114 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,1,0,0,0,1|2,0,0]=4 115 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,1,0,0,0,1|1,0,1]=4 116 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [0,1,0,0,0,1|0,0,2]=4 117 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,1,0,0,0,1|2,0,0]=4 118 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,1,0,0,0,1|2,0,0]=4 119 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [0,1,0,0,0,1|2,0,0]=4 120 B8R0.9 NCC(=O)NCC(O)=O HMDB0011733 [0,1,0,0,0,1|2,0,0]=4 121 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [0,1,0,0,0,1|2,0,0]=4 122 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,2,0,0,0,0|1,0,1]=4 125 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,2,0,0,0,0|1,0,1]=4 126 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|1,0,0]=3 127 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|1,0,0]=3 128 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,2,0,0,0,0|0,0,2]=4 130 B8R0.37 CC(=O)C(C)(O)C(O)=O HMDB0006833 [0,2,0,0,0,0|2,0,0]=4 131 B8R0.37 CC(=O)[C@](C)(O)C(O)=O HMDB0006855 [0,2,0,0,0,0|2,0,0]=4 132 B6R1.2 CC1=CC=CO1 HMDB0013749 [1,0,0,1,0,0|1,0,1]=4 133 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,1]=4 135 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|0,0,1]=3 136 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|0,1,1]=4 137 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|2,0,0]=4 138 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|2,0,0]=4 139 B6R1.2 O=C1CN=CN1 HMDB0004363 [1,0,0,1,0,0|2,0,0]=4 140 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.4 O=C1CCNC(=O)N1 HMDB0000076 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,1,0,1,0,0|1,0,1]=4 148 B8R1.18 CN1CC(=O)NC1=N HMDB0000562 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.18 CN1CC(=O)NC1=O HMDB0003646 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,1,0,1,0,0|1,0,1]=4 151 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,0,0,0,0,2|1,0,0]=3 152 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,0,0,0,2|2,0,0]=4 153 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,0,0,0,0,2|2,0,0]=4 154 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,0,0,0,0,2|1,0,0]=3 155 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,0,0,0,0,2|1,1,0]=4 156 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,0,0,0,0,2|1,0,1]=4