0 B5R0.1 C/C=C/C(C)=O HMDB0001184 [0,0,0,0,0,0|0,0,0]=0 1 B5R0.1 C/C=C/C(O)=O HMDB0010720 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.1 C/C=C\C(O)=O HMDB0034439 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 CC(=C)CCO HMDB0030126 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(=O)CC=C HMDB0031606 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.1 CC(=O)OC=C HMDB0031209 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 CC(C)=CC=O HMDB0012157 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(C)=CCO HMDB0030124 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(C)=CCS HMDB0031529 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CCCC(O)=O HMDB0000039 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.1 CCNC(C)=O HMDB0031215 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.1 CCOC(C)=O HMDB0031217 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CCOC(N)=O HMDB0031219 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CCOC(O)=O HMDB0031232 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CCSC(C)=O HMDB0031190 [0,0,0,0,0,0|1,0,1]=2 15 B5R0.1 CNCC(O)=O HMDB0000271 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 COCC(O)=O HMDB0041929 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 NCCC(O)=O HMDB0000056 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 OC(=O)CC=O HMDB0011111 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 OC(=O)CCI HMDB0031252 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 OCCC(O)=O HMDB0000700 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 CC(=C)C=C HMDB0032344 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(=O)CS HMDB0030025 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(=O)OO HMDB0031608 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(C)C=O HMDB0031243 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|0,0,1]=2 29 B4R0.1 CCC(C)N HMDB0032179 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 CCC(C)O HMDB0011469 [1,0,0,0,0,0|0,0,3]=4 31 B4R0.1 CNC(N)=N HMDB0001522 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 COC(C)=O HMDB0031523 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.1 CSC(C)=O HMDB0031189 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 C[C@@H](O)C=O HMDB0006458 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 C[C@H](O)C=O HMDB0003052 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.1 ClC=C(Cl)Cl HMDB0029593 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 NC(=O)C=C HMDB0004296 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 NC(=O)C=C HMDB0032161 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 NCC(O)=O HMDB0000123 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 OC(=O)C#C HMDB0006804 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 OC(=O)C=C HMDB0031647 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 OC(=O)C=O HMDB0000119 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 OC(=O)CCl HMDB0031331 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 OCC(O)=O HMDB0000115 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 C/C=C/SO HMDB0031636 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.2 CCCC=O HMDB0003543 [1,0,0,0,0,0|0,0,2]=3 47 B4R0.2 CCCCC HMDB0029603 [1,0,0,0,0,0|0,0,3]=4 48 B4R0.2 CCNCC HMDB0041878 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 CCOC=O HMDB0031229 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.2 CCON=O HMDB0031239 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 CCSCC HMDB0031666 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 CSCC=C HMDB0031653 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 CSCC=O HMDB0031718 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.2 CSCSC HMDB0031317 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.2 CSSSC HMDB0013780 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.2 CS[Se]SC HMDB0030876 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.2 C[Se]CC=C HMDB0030878 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.2 ClC/C=C/Cl HMDB0013592 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 NCCC=O HMDB0001106 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.2 O=CCC#C HMDB0006853 [1,0,0,0,0,0|0,0,3]=4 61 B4R0.2 O=CCC=O HMDB0006112 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.2 OCCC=O HMDB0003453 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.1 CC(CC=C)C=O HMDB0030332 [0,1,0,0,0,0|0,0,3]=4 64 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,1,0,0,0,0|0,0,1]=2 65 B6R0.1 CCCC(=O)CC HMDB0000753 [0,1,0,0,0,0|0,0,2]=3 66 B6R0.1 CCCC(=O)OC HMDB0033890 [0,1,0,0,0,0|0,0,2]=3 67 B6R0.1 CCCC(=O)SC HMDB0031191 [0,1,0,0,0,0|0,0,2]=3 68 B6R0.1 CCCC(C)C=O HMDB0031578 [0,1,0,0,0,0|0,0,3]=4 69 B6R0.1 CCOC(=O)CC HMDB0030058 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.1 COC(=O)CSC HMDB0035646 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,1,0,0,0,0|0,0,1]=2 73 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,1,0,0,0,0|0,0,1]=2 75 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,1,0,0,0,0|1,0,0]=2 77 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,1,0,0,0,0|0,0,0]=1 78 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,1,0,0,0,0|0,0,2]=3 80 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,1,0,0,0,0|0,0,2]=3 85 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,1,0,0,0,0|0,0,1]=2 95 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.4 CCCCC(C)=O HMDB0005842 [0,1,0,0,0,0|0,0,2]=3 112 B6R0.4 CCCCC(O)=O HMDB0000892 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.4 CCNCC(O)=O HMDB0041945 [0,1,0,0,0,0|1,0,2]=4 114 B6R0.4 CCOCC(O)=O HMDB0031212 [0,1,0,0,0,0|1,0,2]=4 115 B6R0.4 CSCCC(C)=O HMDB0031316 [0,1,0,0,0,0|0,0,2]=3 116 B6R0.4 CSCCC(O)=O HMDB0001527 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.4 NCCCC(O)=O HMDB0000112 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.4 OCCCC(O)=O HMDB0000710 [0,1,0,0,0,0|1,0,2]=4 122 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,0,0,1,0,0|0,0,2]=3 123 B6R1.2 CC1=NCCS1 HMDB0029555 [0,0,0,1,0,0|1,1,1]=4 124 B6R1.2 CC1CCC=C1 HMDB0031544 [0,0,0,1,0,0|1,0,1]=3 125 B6R1.2 O=C1CCCC1 HMDB0031407 [0,0,0,1,0,0|0,0,2]=3 126 B6R1.2 O=C1CCCN1 HMDB0002039 [0,0,0,1,0,0|1,0,1]=3 127 B6R1.2 O=C1CCCO1 HMDB0000549 [0,0,0,1,0,0|1,0,1]=3 128 B6R1.2 O=C1CCCS1 HMDB0031253 [0,0,0,1,0,0|1,0,1]=3 129 B6R1.2 O=C1CCOC1 HMDB0002523 [0,0,0,1,0,0|1,0,1]=3 130 B6R1.2 O=C1CCSC1 HMDB0031242 [0,0,0,1,0,0|1,0,1]=3 131 B6R1.2 O=C1CN=CN1 HMDB0004363 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,1,0,0|1,0,0]=2 133 B6R1.2 SC1=CC=CS1 HMDB0029720 [0,0,0,1,0,0|1,1,1]=4 134 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,1]=4 135 B3R0.1 C/C=N/O HMDB0003656 [2,0,0,0,0,0|1,0,1]=4 136 B3R0.1 CCC=O HMDB0003366 [2,0,0,0,0,0|0,0,1]=3 137 B3R0.1 CCSC HMDB0031238 [2,0,0,0,0,0|1,0,1]=4 138 B3R0.1 CNC=O HMDB0001122 [2,0,0,0,0,0|1,0,0]=3 139 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|2,0,0]=4 140 B3R0.1 CSSC HMDB0005879 [2,0,0,0,0,0|2,0,0]=4 141 B3R0.1 CS[Se]C HMDB0030879 [2,0,0,0,0,0|2,0,0]=4 142 B3R0.1 O=CC#C HMDB0006803 [2,0,0,0,0,0|0,0,2]=4 143 B3R0.1 OCC=C HMDB0031652 [2,0,0,0,0,0|0,0,2]=4 144 B3R0.1 OCC=O HMDB0003344 [2,0,0,0,0,0|1,0,1]=4 145 B3R0.1 SCC=C HMDB0031635 [2,0,0,0,0,0|0,1,1]=4 146 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,0]=2 147 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,2]=4 148 B3R0.2 CC(C)S HMDB0031634 [2,0,0,0,0,0|0,1,1]=4 149 B3R0.2 CC(N)=O HMDB0031645 [2,0,0,0,0,0|1,0,0]=3 150 B3R0.2 CC(O)=O HMDB0000042 [2,0,0,0,0,0|1,0,0]=3 151 B3R0.2 CC(S)=O HMDB0031188 [2,0,0,0,0,0|1,0,0]=3 152 B3R0.2 C[As](C)O HMDB0012216 [2,0,0,0,0,0|1,0,1]=4 153 B3R0.2 C[S+](C)C HMDB0012295 [2,0,0,0,0,0|2,0,0]=4 154 B3R0.2 C[Se+](C)C HMDB0042052 [2,0,0,0,0,0|2,0,0]=4 155 B3R0.2 ClC(Cl)=C HMDB0032554 [2,0,0,0,0,0|2,0,0]=4 156 B3R0.2 NC(N)=O HMDB0000294 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.2 NC(O)=O HMDB0003551 [2,0,0,0,0,0|2,0,0]=4 158 B3R0.2 OC(O)=O HMDB0003538 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.2 OC([O-])=O HMDB0000595 [2,0,0,0,0,0|2,0,0]=4 160 B3R0.2 [O-]C([O-])=O HMDB0031453 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,1,0,0,0,0|0,0,0]=2 162 B5R0.3 CCC(=O)C=C HMDB0031607 [1,1,0,0,0,0|0,0,0]=2 163 B5R0.3 CCC(=O)CO HMDB0031507 [1,1,0,0,0,0|0,0,1]=3 164 B5R0.3 CCC(=O)OC HMDB0030062 [1,1,0,0,0,0|0,0,1]=3 165 B5R0.3 CCC(=O)SC HMDB0031192 [1,1,0,0,0,0|0,0,1]=3 166 B5R0.3 CCC(C)C=O HMDB0031526 [1,1,0,0,0,0|0,0,2]=4 167 B5R0.3 CCC(O)C=C HMDB0031605 [1,1,0,0,0,0|0,0,2]=4 168 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,1,0,0,0,0|0,0,2]=4 169 B5R0.3 CNC(=O)NC HMDB0029198 [1,1,0,0,0,0|1,0,0]=3 170 B5R0.3 COC(=O)OC HMDB0029580 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.3 OCC(=O)CO HMDB0001882 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.4 CSS(C)(=O)=O HMDB0031832 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.4 C[N+](C)(C)C=C HMDB0031259 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.5 CC(=C)C(C)=O HMDB0031530 [1,1,0,0,0,0|0,0,0]=2 175 B5R0.5 CC(=O)C(C)=O HMDB0003407 [1,1,0,0,0,0|0,0,0]=2 176 B5R0.5 CC(=O)C(O)=O HMDB0000243 [1,1,0,0,0,0|1,0,0]=3 177 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.5 OC(=O)C(O)=O HMDB0002329 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.2 C=C/C=C\C=O HMDB0031597 [1,1,0,0,0,0|0,0,1]=3 185 B5R0.2 C=CCCC=O HMDB0032458 [1,1,0,0,0,0|0,0,2]=4 186 B5R0.2 CC/C=C\C=O HMDB0031601 [1,1,0,0,0,0|0,0,0]=2 187 B5R0.2 CC/C=C\CO HMDB0031604 [1,1,0,0,0,0|0,0,1]=3 188 B5R0.2 CCCCC=O HMDB0031206 [1,1,0,0,0,0|0,0,2]=4 189 B5R0.2 CSCCC=O HMDB0031857 [1,1,0,0,0,0|0,0,2]=4 190 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.2 NCCCC=O HMDB0001080 [1,1,0,0,0,0|0,0,2]=4 192 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,2,0,0,0,0|0,0,2]=4 193 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,2,0,0,0,0|1,0,1]=4 194 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,2,0,0,0,0|0,0,1]=3 195 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,2,0,0,0,0|0,0,2]=4 197 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,2,0,0,0,0|0,0,2]=4 198 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,2,0,0,0,0|0,0,2]=4 199 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [0,2,0,0,0,0|0,0,1]=3 200 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,2,0,0,0,0|0,0,2]=4 201 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,2,0,0,0,0|0,0,2]=4 203 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,2,0,0,0,0|0,0,2]=4 204 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.3 COC(=O)CCSC HMDB0034377 [0,2,0,0,0,0|0,0,2]=4 206 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,2,0,0,0,0|0,0,1]=3 207 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,2,0,0,0,0|0,0,1]=3 208 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,2,0,0,0,0|0,0,1]=3 209 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,2,0,0,0,0|0,0,0]=2 215 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,2,0,0,0,0|0,0,2]=4 216 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,2,0,0,0,0|0,0,2]=4 217 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,2,0,0,0,0|0,0,0]=2 218 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,2,0,0,0,0|0,0,1]=3 220 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,2,0,0,0,0|1,0,1]=4 225 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,2,0,0,0,0|1,0,1]=4 226 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,2,0,0,0,0|0,0,1]=3 229 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [0,2,0,0,0,0|1,0,0]=3 232 B7R0.4 CC(=O)NCCC=O HMDB0012880 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.4 CC(C)=CCOC=O HMDB0032490 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,2,0,0,0,0|0,0,0]=2 236 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,2,0,0,0,0|1,0,0]=3 237 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,2,0,0,0,0|0,0,2]=4 238 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,2,0,0,0,0|0,0,2]=4 239 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,2,0,0,0,0|0,0,2]=4 240 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,2,0,0,0,0|0,0,1]=3 241 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,2,0,0,0,0|0,0,0]=2 244 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,2,0,0,0,0|0,0,2]=4 247 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,2,0,0,0,0|1,0,1]=4 249 B5R1.1 C1CC=NC1 HMDB0012497 [1,0,0,1,0,0|1,0,1]=4 250 B5R1.1 O1C=CC=C1 HMDB0013785 [1,0,0,1,0,0|0,0,2]=4 251 B5R1.1 S1C=CC=C1 HMDB0029718 [1,0,0,1,0,0|0,1,1]=4 252 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,1,0,1,0,0|0,0,2]=4 254 B7R1.1 SCC1=CC=CS1 HMDB0031853 [0,1,0,1,0,0|0,1,1]=4 255 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,1,0,1,0,0|0,0,0]=2 256 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,1,0,1,0,0|0,0,2]=4 257 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,1,0,1,0,0|1,0,0]=3 258 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.2 OC1C=CC(O)=N1 HMDB0030276 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,1,0,1,0,0|0,0,2]=4 263 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,1,0,1,0,0|0,0,2]=4 264 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,1,0,1,0,0|0,0,0]=2 265 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.4 NC1CCSC1=O HMDB0002287 [0,1,0,1,0,0|1,0,1]=4