0 B5R0.2 C=C/C=C\C=O HMDB0031597 [0,0,0,0,0,0|0,0,4]=4 1 B5R0.2 C=CCCC=O HMDB0032458 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.2 C=CCN=C=S HMDB0005843 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C=CCSC#N HMDB0029755 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 CC/C=C\C=O HMDB0031601 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.2 CC/C=C\CO HMDB0031604 [0,0,0,0,0,0|0,0,4]=4 6 B5R0.2 CCCCC=O HMDB0031206 [0,0,0,0,0,0|0,0,0]=0 7 B5R0.2 CCCCCC HMDB0029600 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.2 CCCCCO HMDB0013036 [0,0,0,0,0,0|0,0,2]=2 9 B5R0.2 CCCCCS HMDB0032457 [0,0,0,0,0,0|0,1,1]=2 10 B5R0.2 CCCSSC HMDB0031872 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 CCOCCO HMDB0031213 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.2 CCSSCC HMDB0029572 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.2 CSCCC=O HMDB0031857 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.2 CSCCCO HMDB0031716 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.2 CSCCSC HMDB0031708 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 CSCSSC HMDB0031875 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.2 C[Se]S/C=C/C HMDB0030880 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.2 C[Se]SCC=C HMDB0030877 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.2 NCCCC=O HMDB0001080 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.2 NCCCCN HMDB0001414 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.2 C=CCC#N HMDB0031323 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.2 CCCC=O HMDB0003543 [1,0,0,0,0,0|0,0,0]=1 23 B4R0.2 CCCCC HMDB0029603 [1,0,0,0,0,0|0,0,1]=2 24 B4R0.2 CCCCN HMDB0031321 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.2 CCCCO HMDB0004327 [1,0,0,0,0,0|0,0,1]=2 26 B4R0.2 CCCCS HMDB0031322 [1,0,0,0,0,0|0,1,0]=2 27 B4R0.2 CCCSO HMDB0030299 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.2 CCNCC HMDB0041878 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.2 CCOC=O HMDB0031229 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 CCON=O HMDB0031239 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 CCSCC HMDB0031666 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.2 CSCC=C HMDB0031653 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.2 CSCC=O HMDB0031718 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.2 CSCCO HMDB0032425 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.2 CSCSC HMDB0031317 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 C[Se]CC=C HMDB0030878 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.2 ClC/C=C/Cl HMDB0013592 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 NCCC#N HMDB0004101 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 NCCC=O HMDB0001106 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.2 NCCCN HMDB0000002 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.2 O=CCC#C HMDB0006853 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.2 O=CCC=O HMDB0006112 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.2 OCCC=C HMDB0031324 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.2 OCCC=O HMDB0003453 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 SCCCS HMDB0031632 [1,0,0,0,0,0|1,1,0]=3 46 B6R0.1 CC(CC=C)C=O HMDB0030332 [0,1,0,0,0,0|0,0,2]=3 47 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,1,0,0,0,0|0,0,2]=3 48 B6R0.1 CCCC(=O)CC HMDB0000753 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.1 CCCC(=O)OC HMDB0033890 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCCC(=O)SC HMDB0031191 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCCC(C)C=O HMDB0031578 [0,1,0,0,0,0|0,0,0]=1 52 B6R0.1 CCCC(O)C=C HMDB0031503 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.1 CCCC(O)CC HMDB0031493 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.1 CCOC(C)CC HMDB0031326 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 OC(CC#N)C=C HMDB0031339 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [0,1,0,0,0,0|0,0,2]=3 58 B6R0.4 CC(C)CCC=O HMDB0001318 [0,1,0,0,0,0|0,0,0]=1 59 B6R0.4 CC(C)CN=C=S HMDB0032345 [0,1,0,0,0,0|1,1,1]=4 60 B6R0.4 CC(C)COC=O HMDB0031247 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,1,0,0,0,0|0,0,2]=3 62 B6R0.4 CCCCC(C)=O HMDB0005842 [0,1,0,0,0,0|0,0,0]=1 63 B6R0.4 CCCCC(O)=O HMDB0000892 [0,1,0,0,0,0|0,0,0]=1 64 B6R0.4 CCNCC(O)=O HMDB0041945 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.4 CCOCC(O)=O HMDB0031212 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.4 CSCCC(C)=O HMDB0031316 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.4 CSCCC(O)=O HMDB0001527 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.4 NCCCC(O)=O HMDB0000112 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.4 NCCNN(=O)=O HMDB0031226 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,1,0,0,0,0|0,0,2]=3 71 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.4 OCCCC(O)=O HMDB0000710 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.6 C/C=C\CCCO HMDB0031502 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.6 CC/C=C\CC=O HMDB0031498 [0,1,0,0,0,0|0,0,1]=2 76 B6R0.6 CC/C=C\CCO HMDB0030003 [0,1,0,0,0,0|0,0,3]=4 77 B6R0.6 CCC/C=C/CO HMDB0030952 [0,1,0,0,0,0|0,0,2]=3 78 B6R0.6 CCC=CCC=O HMDB0031497 [0,1,0,0,0,0|0,0,1]=2 79 B6R0.6 CCCC=CC=O HMDB0031496 [0,1,0,0,0,0|0,0,1]=2 80 B6R0.6 CCCCCC=O HMDB0005994 [0,1,0,0,0,0|0,0,0]=1 81 B6R0.6 CCCCCCC HMDB0031447 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.6 CCCCCCN HMDB0032323 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.6 CCCCCCO HMDB0012971 [0,1,0,0,0,0|0,0,2]=3 84 B6R0.6 CCCCCSS HMDB0031160 [0,1,0,0,0,0|0,1,1]=3 85 B6R0.6 CCCCN=C=S HMDB0031328 [0,1,0,0,0,0|0,1,1]=3 86 B6R0.6 CCCCON=O HMDB0031329 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.6 CCCSCCC HMDB0031431 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.6 CCCSSSC HMDB0031871 [0,1,0,0,0,0|2,1,0]=4 89 B6R0.6 CNCCCCN HMDB0003661 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.6 CSCSCSC HMDB0032547 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.6 NCCCCC=O HMDB0012815 [0,1,0,0,0,0|0,0,0]=1 92 B6R0.6 NCCCCCN HMDB0002322 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.6 NCCNCCN HMDB0031413 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.6 O=CCCCC=O HMDB0029599 [0,1,0,0,0,0|0,0,1]=2 95 B6R0.6 OCCSCCO HMDB0042033 [0,1,0,0,0,0|1,0,2]=4 96 B6R1.1 C1CCCCC1 HMDB0029597 [0,0,0,1,0,0|1,0,1]=3 97 B6R1.1 C1COCCN1 HMDB0031581 [0,0,0,1,0,0|1,0,2]=4 98 B6R1.1 C1CSCCS1 HMDB0031474 [0,0,0,1,0,0|1,1,1]=4 99 B6R1.1 C1CSCSC1 HMDB0031473 [0,0,0,1,0,0|1,1,1]=4 100 B6R1.2 CC1=NCCS1 HMDB0029555 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.2 CC1CCC=C1 HMDB0031544 [0,0,0,1,0,0|1,0,0]=2 102 B6R1.2 CC1CCCC1 HMDB0031542 [0,0,0,1,0,0|1,0,1]=3 103 B6R1.2 CC1NCCS1 HMDB0031682 [0,0,0,1,0,0|1,1,1]=4 104 B6R1.2 O=C1CCCC1 HMDB0031407 [0,0,0,1,0,0|0,0,0]=1 105 B6R1.2 O=C1CCCN1 HMDB0002039 [0,0,0,1,0,0|1,0,0]=2 106 B6R1.2 O=C1CCCO1 HMDB0000549 [0,0,0,1,0,0|1,0,0]=2 107 B6R1.2 O=C1CCCS1 HMDB0031253 [0,0,0,1,0,0|1,0,0]=2 108 B6R1.2 O=C1CCOC1 HMDB0002523 [0,0,0,1,0,0|1,0,0]=2 109 B6R1.2 O=C1CCSC1 HMDB0031242 [0,0,0,1,0,0|1,0,0]=2 110 B6R1.2 O=C1CN=CN1 HMDB0004363 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,1,0,0|1,0,2]=4 112 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3 113 B3R0.1 CCC=O HMDB0003366 [2,0,0,0,0,0|0,0,0]=2 114 B3R0.1 CCCO HMDB0000820 [2,0,0,0,0,0|0,0,1]=3 115 B3R0.1 CCSC HMDB0031238 [2,0,0,0,0,0|1,0,0]=3 116 B3R0.1 CNC=O HMDB0001122 [2,0,0,0,0,0|1,0,0]=3 117 B3R0.1 COCCl HMDB0031332 [2,0,0,0,0,0|2,0,0]=4 118 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|2,0,0]=4 119 B3R0.1 CSCS HMDB0032428 [2,0,0,0,0,0|1,1,0]=4 120 B3R0.1 CSSC HMDB0005879 [2,0,0,0,0,0|2,0,0]=4 121 B3R0.1 CS[Se]C HMDB0030879 [2,0,0,0,0,0|2,0,0]=4 122 B3R0.1 ClCCCl HMDB0029571 [2,0,0,0,0,0|2,0,0]=4 123 B3R0.1 NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4 124 B3R0.1 NCCO HMDB0000149 [2,0,0,0,0,0|1,0,1]=4 125 B3R0.1 NCCS HMDB0002991 [2,0,0,0,0,0|1,1,0]=4 126 B3R0.1 O=CC#C HMDB0006803 [2,0,0,0,0,0|0,0,2]=4 127 B3R0.1 OCC=C HMDB0031652 [2,0,0,0,0,0|1,0,1]=4 128 B3R0.1 OCC=O HMDB0003344 [2,0,0,0,0,0|1,0,0]=3 129 B3R0.1 OCCO HMDB0032262 [2,0,0,0,0,0|1,0,1]=4 130 B3R0.1 SCC=C HMDB0031635 [2,0,0,0,0,0|1,0,1]=4 131 B3R0.1 SCCS HMDB0031707 [2,0,0,0,0,0|1,1,0]=4 132 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,1,0,0,0,0|0,0,2]=4 133 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,1,0,0,0,0|0,0,2]=4 134 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,1,0,0,0,0|0,0,2]=4 135 B5R0.1 CC(=C)CCO HMDB0030126 [1,1,0,0,0,0|0,0,2]=4 136 B5R0.1 CC(=O)CC=C HMDB0031606 [1,1,0,0,0,0|0,0,2]=4 137 B5R0.1 CC(C)=CC=O HMDB0012157 [1,1,0,0,0,0|0,0,2]=4 138 B5R0.1 CC(C)CCN HMDB0031659 [1,1,0,0,0,0|1,0,0]=3 139 B5R0.1 CC(C)CCO HMDB0006007 [1,1,0,0,0,0|0,0,1]=3 140 B5R0.1 CC(O)CCO HMDB0031320 [1,1,0,0,0,0|0,0,1]=3 141 B5R0.1 CCCC(O)=O HMDB0000039 [1,1,0,0,0,0|0,0,0]=2 142 B5R0.1 CCNC(C)=O HMDB0031215 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|1,0,0]=3 144 B5R0.1 CCOC(N)=O HMDB0031219 [1,1,0,0,0,0|1,0,0]=3 145 B5R0.1 CCOC(O)=O HMDB0031232 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.1 CCSC(C)=O HMDB0031190 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.1 CN(C)CCO HMDB0032231 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.1 CNCC(O)=O HMDB0000271 [1,1,0,0,0,0|1,0,0]=3 149 B5R0.1 COCC(O)=O HMDB0041929 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.1 NCCC(O)=O HMDB0000056 [1,1,0,0,0,0|1,0,0]=3 151 B5R0.1 NCCS(O)=O HMDB0000965 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.1 OC(=O)CC=O HMDB0011111 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.1 OC(=O)CCI HMDB0031252 [1,1,0,0,0,0|1,0,0]=3 154 B5R0.1 OCCC(O)=O HMDB0000700 [1,1,0,0,0,0|1,0,0]=3 155 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,1,0,0,0,0|0,0,2]=4 156 B5R0.3 CCC(=O)C=C HMDB0031607 [1,1,0,0,0,0|0,0,2]=4 157 B5R0.3 CCC(=O)CO HMDB0031507 [1,1,0,0,0,0|0,0,2]=4 158 B5R0.3 CCC(C)C=O HMDB0031526 [1,1,0,0,0,0|0,0,0]=2 159 B5R0.3 CCC(C)CN HMDB0032392 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.3 CCC(C)CO HMDB0031527 [1,1,0,0,0,0|0,0,1]=3 161 B5R0.3 CCC(O)C=C HMDB0031605 [1,1,0,0,0,0|0,0,1]=3 162 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,1,0,0,0,0|0,0,0]=2 163 B5R0.3 OCC(O)C=O HMDB0001051 [1,1,0,0,0,0|1,0,0]=3 164 B5R0.3 OCC(O)CCl HMDB0031334 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.3 OCC(O)CO HMDB0000131 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,2,0,0,0,0|0,0,0]=2 168 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,2,0,0,0,0|0,0,0]=2 169 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,2,0,0,0,0|1,0,0]=3 171 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [0,2,0,0,0,0|0,0,2]=4 173 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,2,0,0,0,0|0,0,0]=2 175 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,2,0,0,0,0|0,0,0]=2 176 B7R0.3 CCCCC(C)CC HMDB0031583 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,2,0,0,0,0|1,0,0]=3 178 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,2,0,0,0,0|0,0,2]=4 179 B7R0.3 COC(=O)CCSC HMDB0034377 [0,2,0,0,0,0|1,0,0]=3 180 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,2,0,0,0,0|0,0,2]=4 181 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [0,2,0,0,0,0|0,0,2]=4 182 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,2,0,0,0,0|0,0,2]=4 183 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,2,0,0,0,0|0,0,1]=3 184 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,2,0,0,0,0|0,0,1]=3 185 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,2,0,0,0,0|0,0,0]=2 186 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,2,0,0,0,0|0,0,0]=2 187 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,2,0,0,0,0|0,0,0]=2 188 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,2,0,0,0,0|1,0,0]=3 196 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,2,0,0,0,0|0,0,0]=2 202 B7R0.7 CCSC(C)CCO HMDB0032277 [0,2,0,0,0,0|0,0,2]=4 203 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.11 CCCC(C)(S)CO HMDB0032374 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.4 CC(=O)NCCC=O HMDB0012880 [0,2,0,0,0,0|0,0,1]=3 207 B7R0.4 CC(C)=CCOC=O HMDB0032490 [0,2,0,0,0,0|0,0,2]=4 208 B7R0.4 CC(C)CCN=C=S HMDB0032341 [0,2,0,0,0,0|0,1,1]=4 209 B7R0.4 CC(O)CCCCO HMDB0031490 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,2,0,0,0,0|0,0,1]=3 212 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,2,0,0,0,0|0,0,1]=3 213 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,2,0,0,0,0|0,0,0]=2 214 B7R0.4 CCCCCC(C)O HMDB0033908 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.4 CCCCCC(C)S HMDB0032303 [0,2,0,0,0,0|0,1,1]=4 216 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,2,0,0,0,0|0,0,0]=2 217 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,2,0,0,0,0|0,0,0]=2 218 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,2,0,0,0,0|0,0,0]=2 219 B7R0.4 CCCNCC(C)C HMDB0031244 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.4 CSSCCC(C)C HMDB0032408 [0,2,0,0,0,0|1,1,0]=4 221 B7R0.4 NCCCCC(N)=O HMDB0012176 [0,2,0,0,0,0|0,0,0]=2 222 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,2,0,0,0,0|0,0,0]=2 223 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,2,0,0,0,0|0,0,1]=3 224 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,2,0,0,0,0|0,0,1]=3 225 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,2,0,0,0,0|0,0,1]=3 226 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,2,0,0,0,0|0,0,2]=4 228 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,2,0,0,0,0|0,0,2]=4 229 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,2,0,0,0,0|0,0,0]=2 230 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,2,0,0,0,0|0,0,0]=2 231 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,2,0,0,0,0|1,0,0]=3 232 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,2,0,0,0,0|0,0,0]=2 234 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.1 CCCCCCC=C HMDB0032449 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.1 CCCCCCC=O HMDB0031475 [0,2,0,0,0,0|0,0,0]=2 237 B7R0.1 CCCCCCCC HMDB0001485 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.1 CCCCCCCO HMDB0031479 [0,2,0,0,0,0|0,0,2]=4 239 B7R0.1 CCCCCCCS HMDB0032304 [0,2,0,0,0,0|0,1,1]=4 240 B7R0.1 CCCCCCOC HMDB0032407 [0,2,0,0,0,0|0,0,2]=4 241 B7R0.1 CCCCCSSC HMDB0031161 [0,2,0,0,0,0|0,1,1]=4 242 B7R0.1 CCCCOCCO HMDB0031327 [0,2,0,0,0,0|0,0,2]=4 243 B7R0.1 CCCCSSCC HMDB0032180 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.1 CCCSSCCC HMDB0031472 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.1 SCCCCCCS HMDB0031709 [0,2,0,0,0,0|0,1,1]=4 246 B5R1.1 C1CC=NC1 HMDB0012497 [1,0,0,1,0,0|1,0,0]=3 247 B5R1.1 C1CCNC1 HMDB0031641 [1,0,0,1,0,0|1,0,0]=3 248 B5R1.1 C1CCOC1 HMDB0000246 [1,0,0,1,0,0|0,0,1]=3 249 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,1,0,1,0,0|1,0,0]=3 250 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,1,0,1,0,0|0,0,1]=3 251 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,1,0,1,0,0|0,0,2]=4 253 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.3 CC1CCCCN1 HMDB0032416 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.3 NC1CCCCC1 HMDB0031404 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,1,0,1,0,0|0,0,0]=2 259 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,1,0,1,0,0|0,0,1]=3 261 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.4 NC1CCSC1=O HMDB0002287 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,1,0,1,0,0|1,0,0]=3