0 B4R0.1 CC(=C)C=C HMDB0032344 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 CC(=O)C=O HMDB0001167 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 CC(=O)CN HMDB0002134 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 CC(=O)CO HMDB0006961 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.1 CC(=O)CS HMDB0030025 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 CC(=O)OO HMDB0031608 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(C)C=O HMDB0031243 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(C)CO HMDB0006006 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(C)CS HMDB0031245 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(Cl)CO HMDB0031335 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CC(N)CN HMDB0013136 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 CC(O)CN HMDB0012136 [0,0,0,0,0,0|1,0,2]=3 12 B4R0.1 CC(S)CS HMDB0031631 [0,0,0,0,0,0|1,1,1]=3 13 B4R0.1 CCC(C)=O HMDB0000474 [0,0,0,0,0,0|0,0,0]=0 14 B4R0.1 CCC(C)N HMDB0032179 [0,0,0,0,0,0|1,0,1]=2 15 B4R0.1 CCC(C)O HMDB0011469 [0,0,0,0,0,0|0,0,2]=2 16 B4R0.1 CN(C)N=O HMDB0031419 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 CNC(N)=N HMDB0001522 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 COC(C)=O HMDB0031523 [0,0,0,0,0,0|1,0,0]=1 19 B4R0.1 CSC(C)=O HMDB0031189 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.1 C[C@@H](O)C=O HMDB0006458 [0,0,0,0,0,0|1,0,3]=4 21 B4R0.1 C[C@H](O)C=O HMDB0003052 [0,0,0,0,0,0|1,0,3]=4 22 B4R0.1 C[C@H](O)CO HMDB0006213 [0,0,0,0,0,0|1,0,2]=3 23 B4R0.1 ClC=C(Cl)Cl HMDB0029593 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 NC(=O)C=C HMDB0004296 [0,0,0,0,0,0|1,0,2]=3 25 B4R0.1 NC(=O)C=C HMDB0032161 [0,0,0,0,0,0|1,0,2]=3 26 B4R0.1 NCC(O)=O HMDB0000123 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 OC(=O)C#C HMDB0006804 [0,0,0,0,0,0|1,0,2]=3 28 B4R0.1 OC(=O)C=C HMDB0031647 [0,0,0,0,0,0|1,0,2]=3 29 B4R0.1 OC(=O)C=O HMDB0000119 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 OC(=O)CCl HMDB0031331 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 OCC(O)=O HMDB0000115 [0,0,0,0,0,0|2,0,0]=2 32 B3R0.1 C(=O)CCl HMDB0013860 [1,0,0,0,0,0|1,0,0]=2 33 B3R0.1 C/C=N/O HMDB0003656 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.1 CCC=O HMDB0003366 [1,0,0,0,0,0|0,0,0]=1 35 B3R0.1 CCCO HMDB0000820 [1,0,0,0,0,0|0,0,2]=3 36 B3R0.1 CCSC HMDB0031238 [1,0,0,0,0,0|1,0,0]=2 37 B3R0.1 CNC=O HMDB0001122 [1,0,0,0,0,0|1,0,0]=2 38 B3R0.1 COCCl HMDB0031332 [1,0,0,0,0,0|2,0,0]=3 39 B3R0.1 COOC HMDB0031430 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.1 CSCS HMDB0032428 [1,0,0,0,0,0|2,0,0]=3 41 B3R0.1 CSSC HMDB0005879 [1,0,0,0,0,0|2,0,0]=3 42 B3R0.1 CS[Se]C HMDB0030879 [1,0,0,0,0,0|2,0,0]=3 43 B3R0.1 ClCCCl HMDB0029571 [1,0,0,0,0,0|2,0,1]=4 44 B3R0.1 NCCN HMDB0031225 [1,0,0,0,0,0|2,0,1]=4 45 B3R0.1 NCCO HMDB0000149 [1,0,0,0,0,0|1,0,2]=4 46 B3R0.1 NCCS HMDB0002991 [1,0,0,0,0,0|1,1,1]=4 47 B3R0.1 O=CC#C HMDB0006803 [1,0,0,0,0,0|0,0,2]=3 48 B3R0.1 OCC=C HMDB0031652 [1,0,0,0,0,0|1,0,1]=3 49 B3R0.1 OCC=O HMDB0003344 [1,0,0,0,0,0|1,0,0]=2 50 B3R0.1 OCCO HMDB0032262 [1,0,0,0,0,0|1,0,2]=4 51 B3R0.1 SCC=C HMDB0031635 [1,0,0,0,0,0|1,0,1]=3 52 B3R0.1 SCCS HMDB0031707 [1,0,0,0,0,0|1,1,1]=4 53 B3R0.1 [O-]ON=O HMDB0002179 [1,0,0,0,0,0|3,0,0]=4 54 B3R0.2 CC(C)=O HMDB0001659 [1,0,0,0,0,0|0,0,0]=1 55 B3R0.2 CC(C)O HMDB0000863 [1,0,0,0,0,0|0,0,2]=3 56 B3R0.2 CC(C)S HMDB0031634 [1,0,0,0,0,0|0,1,1]=3 57 B3R0.2 CC(N)=O HMDB0031645 [1,0,0,0,0,0|1,0,0]=2 58 B3R0.2 CC(O)=O HMDB0000042 [1,0,0,0,0,0|1,0,0]=2 59 B3R0.2 CC(S)=O HMDB0031188 [1,0,0,0,0,0|1,0,0]=2 60 B3R0.2 CC(S)S HMDB0032253 [1,0,0,0,0,0|1,1,1]=4 61 B3R0.2 C[As](C)O HMDB0012216 [1,0,0,0,0,0|1,0,1]=3 62 B3R0.2 C[As](O)O HMDB0012259 [1,0,0,0,0,0|2,0,1]=4 63 B3R0.2 C[S+](C)C HMDB0012295 [1,0,0,0,0,0|2,0,0]=3 64 B3R0.2 C[Se+](C)C HMDB0042052 [1,0,0,0,0,0|2,0,0]=3 65 B3R0.2 ClC(Cl)=C HMDB0032554 [1,0,0,0,0,0|2,0,1]=4 66 B3R0.2 NC(N)=N HMDB0001842 [1,0,0,0,0,0|3,0,0]=4 67 B3R0.2 NC(N)=O HMDB0000294 [1,0,0,0,0,0|2,0,0]=3 68 B3R0.2 NC(O)=O HMDB0003551 [1,0,0,0,0,0|2,0,0]=3 69 B3R0.2 OC(O)=O HMDB0003538 [1,0,0,0,0,0|2,0,0]=3 70 B3R0.2 OC([O-])=O HMDB0000595 [1,0,0,0,0,0|2,0,0]=3 71 B3R0.2 OS([O-])=O HMDB0001033 [1,0,0,0,0,0|3,0,0]=4 72 B3R0.2 [O-]C([O-])=O HMDB0031453 [1,0,0,0,0,0|2,0,0]=3 73 B3R0.2 [O-]S([O-])=O HMDB0000240 [1,0,0,0,0,0|3,0,0]=4 74 B3R0.2 [O-][Cl](=O)=O HMDB0002036 [1,0,0,0,0,0|3,0,0]=4 75 B3R0.2 [O-][I](=O)=O HMDB0001061 [1,0,0,0,0,0|3,0,0]=4 76 B3R0.2 [O-][N+]([O-])=O HMDB0002878 [1,0,0,0,0,0|3,0,0]=4 77 B3R0.2 [O-][Se]([O-])=O HMDB0011119 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 C/C=C/C(C)=O HMDB0001184 [0,1,0,0,0,0|0,0,1]=2 79 B5R0.1 C/C=C/C(O)=O HMDB0010720 [0,1,0,0,0,0|1,0,1]=3 80 B5R0.1 C/C=C\C(O)=O HMDB0034439 [0,1,0,0,0,0|1,0,1]=3 81 B5R0.1 CC(=C)CCO HMDB0030126 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.1 CC(=O)CC=C HMDB0031606 [0,1,0,0,0,0|0,0,1]=2 83 B5R0.1 CC(=O)OC=C HMDB0031209 [0,1,0,0,0,0|0,0,2]=3 84 B5R0.1 CC(C)=CC=O HMDB0012157 [0,1,0,0,0,0|1,0,2]=4 85 B5R0.1 CC(C)=CCO HMDB0030124 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.1 CC(C)=CCS HMDB0031529 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.1 CC(C)CCN HMDB0031659 [0,1,0,0,0,0|1,0,1]=3 88 B5R0.1 CC(C)CCO HMDB0006007 [0,1,0,0,0,0|1,0,1]=3 89 B5R0.1 CC(O)CCO HMDB0031320 [0,1,0,0,0,0|0,0,2]=3 90 B5R0.1 CCCC(O)=O HMDB0000039 [0,1,0,0,0,0|1,0,0]=2 91 B5R0.1 CCNC(C)=O HMDB0031215 [0,1,0,0,0,0|0,0,0]=1 92 B5R0.1 CCOC(C)=O HMDB0031217 [0,1,0,0,0,0|0,0,0]=1 93 B5R0.1 CCOC(N)=O HMDB0031219 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.1 CCOC(O)=O HMDB0031232 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.1 CCSC(C)=O HMDB0031190 [0,1,0,0,0,0|0,0,0]=1 96 B5R0.1 CN(C)CCO HMDB0032231 [0,1,0,0,0,0|2,0,0]=3 97 B5R0.1 CNCC(O)=O HMDB0000271 [0,1,0,0,0,0|1,0,0]=2 98 B5R0.1 COCC(O)=O HMDB0041929 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.1 NCCC(O)=O HMDB0000056 [0,1,0,0,0,0|1,0,0]=2 100 B5R0.1 NCCS(O)=O HMDB0000965 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.1 OC(=O)CC=O HMDB0011111 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.1 OC(=O)CCI HMDB0031252 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.1 OCCC(O)=O HMDB0000700 [0,1,0,0,0,0|1,0,0]=2 104 B5R0.3 C/C=C(/C)C=O HMDB0031512 [0,1,0,0,0,0|0,0,1]=2 105 B5R0.3 CCC(=O)C=C HMDB0031607 [0,1,0,0,0,0|0,0,1]=2 106 B5R0.3 CCC(=O)CO HMDB0031507 [0,1,0,0,0,0|0,0,0]=1 107 B5R0.3 CCC(=O)OC HMDB0030062 [0,1,0,0,0,0|0,0,0]=1 108 B5R0.3 CCC(=O)SC HMDB0031192 [0,1,0,0,0,0|0,0,0]=1 109 B5R0.3 CCC(C)C=O HMDB0031526 [0,1,0,0,0,0|0,0,1]=2 110 B5R0.3 CCC(C)CN HMDB0032392 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.3 CCC(C)CO HMDB0031527 [0,1,0,0,0,0|0,0,2]=3 112 B5R0.3 CCC(O)C=C HMDB0031605 [0,1,0,0,0,0|0,0,3]=4 113 B5R0.3 CC[C@H](C)C=O HMDB0031525 [0,1,0,0,0,0|0,0,1]=2 114 B5R0.3 CNC(=O)NC HMDB0029198 [0,1,0,0,0,0|1,0,0]=2 115 B5R0.3 COC(=O)OC HMDB0029580 [0,1,0,0,0,0|1,0,0]=2 116 B5R0.3 COC(C)OC HMDB0030061 [0,1,0,0,0,0|1,0,2]=4 117 B5R0.3 OCC(=O)CO HMDB0001882 [0,1,0,0,0,0|1,0,0]=2 118 B5R0.3 OCC(O)C=O HMDB0001051 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.3 OCC(O)CCl HMDB0031334 [0,1,0,0,0,0|1,0,2]=4 120 B5R0.3 OCC(O)CO HMDB0000131 [0,1,0,0,0,0|1,0,2]=4 121 B5R0.4 CSS(C)(=O)=O HMDB0031832 [0,1,0,0,0,0|2,0,0]=3 122 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,1,0,0,0,0|0,0,1]=2 123 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,1,0,0,0,0|0,0,1]=2 124 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,1,0,0,0,0|1,0,1]=3 125 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,1,0,0,0,0|1,0,0]=2 126 B5R0.5 CC(O)C(C)O HMDB0003156 [0,1,0,0,0,0|0,0,2]=3 127 B5R0.5 CC(S)C(C)S HMDB0031157 [0,1,0,0,0,0|0,1,1]=3 128 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,1,0,0,0,0|1,0,0]=2 129 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,1,0,0,0,0|1,0,0]=2 131 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,1,0,0,0,0|1,0,0]=2 132 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,1,0,0,0,0|1,0,0]=2 133 B5R0.5 OC(=O)C(O)=O HMDB0002329 [0,1,0,0,0,0|2,0,1]=4 134 B2R0.1 CC=O HMDB0000990 [2,0,0,0,0,0|0,0,0]=2 135 B2R0.1 CCC HMDB0031630 [2,0,0,0,0,0|0,0,0]=2 136 B2R0.1 CCN HMDB0013231 [2,0,0,0,0,0|1,0,0]=3 137 B2R0.1 CNC HMDB0000087 [2,0,0,0,0,0|1,0,0]=3 138 B2R0.1 CSC HMDB0002303 [2,0,0,0,0,0|1,0,0]=3 139 B2R0.1 ClCCl HMDB0031548 [2,0,0,0,0,0|2,0,0]=4 140 B2R0.1 NC=O HMDB0001536 [2,0,0,0,0,0|1,0,0]=3 141 B2R0.1 O=C=O HMDB0001967 [2,0,0,0,0,0|1,0,1]=4 142 B2R0.1 O=[Te]=O HMDB0012288 [2,0,0,0,0,0|2,0,0]=4 143 B2R0.1 [O-]N=O HMDB0002786 [2,0,0,0,0,0|2,0,0]=4 144 B2R0.1 [O-][Cl]=O HMDB0002077 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.2 C/C=C/SO HMDB0031636 [1,1,0,0,0,0|0,0,2]=4 146 B4R0.2 C=CCC#N HMDB0031323 [1,1,0,0,0,0|0,0,2]=4 147 B4R0.2 CCCC=O HMDB0003543 [1,1,0,0,0,0|0,0,0]=2 148 B4R0.2 CCCCC HMDB0029603 [1,1,0,0,0,0|0,0,1]=3 149 B4R0.2 CCCCN HMDB0031321 [1,1,0,0,0,0|0,0,1]=3 150 B4R0.2 CCCCO HMDB0004327 [1,1,0,0,0,0|0,0,1]=3 151 B4R0.2 CCCCS HMDB0031322 [1,1,0,0,0,0|0,0,1]=3 152 B4R0.2 CCCSO HMDB0030299 [1,1,0,0,0,0|0,0,2]=4 153 B4R0.2 CCNCC HMDB0041878 [1,1,0,0,0,0|0,0,1]=3 154 B4R0.2 CCOC=O HMDB0031229 [1,1,0,0,0,0|0,0,0]=2 155 B4R0.2 CCON=O HMDB0031239 [1,1,0,0,0,0|1,0,0]=3 156 B4R0.2 CCSCC HMDB0031666 [1,1,0,0,0,0|0,0,1]=3 157 B4R0.2 CSCC=C HMDB0031653 [1,1,0,0,0,0|0,0,1]=3 158 B4R0.2 CSCC=O HMDB0031718 [1,1,0,0,0,0|0,0,0]=2 159 B4R0.2 CSCCO HMDB0032425 [1,1,0,0,0,0|1,0,0]=3 160 B4R0.2 CSCSC HMDB0031317 [1,1,0,0,0,0|1,0,0]=3 161 B4R0.2 CSSSC HMDB0013780 [1,1,0,0,0,0|2,0,0]=4 162 B4R0.2 CS[Se]SC HMDB0030876 [1,1,0,0,0,0|2,0,0]=4 163 B4R0.2 C[Se]CC=C HMDB0030878 [1,1,0,0,0,0|0,0,1]=3 164 B4R0.2 ClC/C=C/Cl HMDB0013592 [1,1,0,0,0,0|1,0,1]=4 165 B4R0.2 NCCC#N HMDB0004101 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.2 NCCC=O HMDB0001106 [1,1,0,0,0,0|0,0,0]=2 167 B4R0.2 NCCCN HMDB0000002 [1,1,0,0,0,0|1,0,1]=4 168 B4R0.2 O=CCC#C HMDB0006853 [1,1,0,0,0,0|0,0,1]=3 169 B4R0.2 O=CCC=O HMDB0006112 [1,1,0,0,0,0|0,0,1]=3 170 B4R0.2 OCCC=C HMDB0031324 [1,1,0,0,0,0|0,0,1]=3 171 B4R0.2 OCCC=O HMDB0003453 [1,1,0,0,0,0|0,0,0]=2 172 B4R0.2 SCCCS HMDB0031632 [1,1,0,0,0,0|0,1,1]=4 173 B4R0.3 CC(C)(C)O HMDB0031456 [1,1,0,0,0,0|0,0,2]=4 174 B4R0.3 CS(C)(=O)=O HMDB0004983 [1,1,0,0,0,0|1,0,0]=3 175 B4R0.3 C[As](C)([O-])=O HMDB0011625 [1,1,0,0,0,0|1,0,0]=3 176 B4R0.3 C[As](O)(O)=O HMDB0012258 [1,1,0,0,0,0|2,0,0]=4 177 B4R0.3 C[N+](C)(C)[O-] HMDB0000925 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.1 CC(CC=C)C=O HMDB0030332 [0,2,0,0,0,0|0,0,2]=4 179 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,2,0,0,0,0|0,0,0]=2 180 B6R0.1 CCCC(=O)CC HMDB0000753 [0,2,0,0,0,0|0,0,0]=2 181 B6R0.1 CCCC(=O)OC HMDB0033890 [0,2,0,0,0,0|0,0,0]=2 182 B6R0.1 CCCC(=O)SC HMDB0031191 [0,2,0,0,0,0|0,0,0]=2 183 B6R0.1 CCCC(C)C=O HMDB0031578 [0,2,0,0,0,0|0,0,1]=3 184 B6R0.1 CCCC(O)CC HMDB0031493 [0,2,0,0,0,0|0,0,2]=4 185 B6R0.1 CCOC(=O)CC HMDB0030058 [0,2,0,0,0,0|0,0,0]=2 186 B6R0.1 CCOC(C)CC HMDB0031326 [0,2,0,0,0,0|0,0,2]=4 187 B6R0.1 COC(=O)CSC HMDB0035646 [0,2,0,0,0,0|0,0,0]=2 188 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,2,0,0,0,0|1,0,0]=3 189 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,2,0,0,0,0|0,0,0]=2 190 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,2,0,0,0,0|0,0,1]=3 191 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,2,0,0,0,0|0,0,0]=2 192 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,2,0,0,0,0|0,0,1]=3 193 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,2,0,0,0,0|0,0,1]=3 194 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,2,0,0,0,0|0,0,1]=3 195 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,2,0,0,0,0|0,0,0]=2 197 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,2,0,0,0,0|1,0,0]=3 198 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,2,0,0,0,0|0,0,0]=2 199 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,2,0,0,0,0|1,0,1]=4 200 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,2,0,0,0,0|1,0,0]=3 202 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,2,0,0,0,0|0,0,0]=2 203 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,2,0,0,0,0|1,0,0]=3 204 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,2,0,0,0,0|1,0,0]=3 205 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,2,0,0,0,0|1,0,0]=3 206 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,2,0,0,0,0|0,0,1]=3 209 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,2,0,0,0,0|0,0,1]=3 210 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,2,0,0,0,0|1,0,0]=3 211 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,2,0,0,0,0|1,0,0]=3 212 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,2,0,0,0,0|0,0,1]=3 213 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,2,0,0,0,0|0,0,0]=2 214 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,2,0,0,0,0|0,0,0]=2 215 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,2,0,0,0,0|0,0,1]=3 216 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,2,0,0,0,0|0,0,1]=3 217 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,2,0,0,0,0|0,0,2]=4 218 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,2,0,0,0,0|1,0,0]=3 219 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,2,0,0,0,0|1,0,0]=3 220 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,2,0,0,0,0|0,0,1]=3 221 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,2,0,0,0,0|1,0,0]=3 222 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,2,0,0,0,0|0,0,1]=3 223 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,2,0,0,0,0|0,0,0]=2 224 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,2,0,0,0,0|1,0,0]=3 226 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,2,0,0,0,0|1,0,0]=3 227 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,2,0,0,0,0|1,0,0]=3 229 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [0,2,0,0,0,0|1,0,1]=4 230 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,2,0,0,0,0|1,0,0]=3 231 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,2,0,0,0,0|1,0,0]=3 233 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,2,0,0,0,0|1,0,0]=3 236 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,2,0,0,0,0|1,0,1]=4 237 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,2,0,0,0,0|1,0,1]=4 238 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,2,0,0,0,0|1,0,0]=3 239 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,2,0,0,0,0|1,0,1]=4 240 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,2,0,0,0,0|1,0,0]=3 242 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,2,0,0,0,0|1,0,0]=3 243 B6R0.4 CC(C)CCC=O HMDB0001318 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,2,0,0,0,0|1,0,0]=3 245 B6R0.4 CCCCC(C)=O HMDB0005842 [0,2,0,0,0,0|0,0,0]=2 246 B6R0.4 CCCCC(O)=O HMDB0000892 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.4 CCNCC(O)=O HMDB0041945 [0,2,0,0,0,0|1,0,0]=3 248 B6R0.4 CCOCC(O)=O HMDB0031212 [0,2,0,0,0,0|1,0,0]=3 249 B6R0.4 CSCCC(C)=O HMDB0031316 [0,2,0,0,0,0|0,0,0]=2 250 B6R0.4 CSCCC(O)=O HMDB0001527 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.4 NCCCC(O)=O HMDB0000112 [0,2,0,0,0,0|1,0,0]=3 252 B6R0.4 NCCNN(=O)=O HMDB0031226 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,2,0,0,0,0|1,0,0]=3 254 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,2,0,0,0,0|1,0,1]=4 256 B6R0.4 OCCCC(O)=O HMDB0000710 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.5 CCOP(O)(O)=O HMDB0012228 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.5 CCOS(O)(=O)=O HMDB0031233 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.5 C[As+](C)(C)CCO HMDB0032683 [0,2,0,0,0,0|2,0,0]=4 261 B6R0.5 NCCP(O)(O)=O HMDB0011747 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.5 NCCS(O)(=O)=O HMDB0000251 [0,2,0,0,0,0|2,0,0]=4 263 B6R0.5 OCCS(O)(=O)=O HMDB0003903 [0,2,0,0,0,0|2,0,0]=4 264 B6R0.5 OS(=O)(=O)CCS HMDB0003745 [0,2,0,0,0,0|2,0,0]=4 265 B6R0.8 COP(N)(=O)SC HMDB0031803 [0,2,0,0,0,0|2,0,0]=4 266 B6R0.9 CCC(CC)C=O HMDB0031220 [0,2,0,0,0,0|0,0,1]=3 267 B6R0.9 CCN(CC)CC HMDB0032539 [0,2,0,0,0,0|2,0,0]=4 268 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.7 OC(=O)C(Cl)(Cl)Cl HMDB0042048 [0,2,0,0,0,0|2,0,0]=4 271 B6R0.7 OC(=O)C(F)(F)F HMDB0014118 [0,2,0,0,0,0|2,0,0]=4 272 B4R1.2 CC1CO1 HMDB0031558 [1,0,0,1,0,0|1,0,0]=3 273 B4R1.2 CC1CO1 HMDB0032263 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.2 CC1=NCCS1 HMDB0029555 [0,1,0,1,0,0|0,1,0]=3 275 B6R1.2 CC1CCC=C1 HMDB0031544 [0,1,0,1,0,0|1,0,1]=4 276 B6R1.2 CC1CCCC1 HMDB0031542 [0,1,0,1,0,0|1,0,1]=4 277 B6R1.2 CC1NCCS1 HMDB0031682 [0,1,0,1,0,0|0,1,1]=4 278 B6R1.2 O=C1CCCC1 HMDB0031407 [0,1,0,1,0,0|0,0,0]=2 279 B6R1.2 O=C1CCCN1 HMDB0002039 [0,1,0,1,0,0|0,0,0]=2 280 B6R1.2 O=C1CCCO1 HMDB0000549 [0,1,0,1,0,0|0,0,0]=2 281 B6R1.2 O=C1CCCS1 HMDB0031253 [0,1,0,1,0,0|0,0,0]=2 282 B6R1.2 O=C1CCOC1 HMDB0002523 [0,1,0,1,0,0|0,0,0]=2 283 B6R1.2 O=C1CCSC1 HMDB0031242 [0,1,0,1,0,0|0,0,0]=2 284 B6R1.2 O=C1CN=CN1 HMDB0004363 [0,1,0,1,0,0|1,0,1]=4 285 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,1,0,1,0,0|0,0,2]=4