0 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [1,0,0,0,0,0|1,0,0]=2 1 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,0,0,0,0,0|1,0,0]=2 3 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [1,0,0,0,0,0|0,1,0]=2 4 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.31 OCC1=CC=C(O1)C(O)=O HMDB0002432 [0,1,0,0,0,0|1,1,0]=3 6 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 HMDB0032159 [0,1,0,0,0,0|2,1,0]=4 7 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.9 OC(=O)CNC(=O)C=C HMDB0001843 [0,0,1,0,0,0|2,0,1]=4 9 B8R0.23 OC(=O)CC(=C)C(O)=O HMDB0002092 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,1,0,0,0|1,1,1]=4 12 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,0,1|3,0,0]=4 13 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,0,1|2,0,0]=3 16 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.113 OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,0,0,0,0,1|1,0,0]=2 18 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [1,0,1,0,0,0|1,0,0]=3 19 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [2,0,0,0,0,0|1,0,0]=3 20 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [2,0,0,0,0,0|0,0,0]=2 21 B7R1.1 OCC1=CC=CO1 HMDB0013742 [2,0,0,0,0,0|0,1,1]=4 22 B7R1.1 SCC1=CC=CS1 HMDB0031853 [2,0,0,0,0,0|0,1,1]=4 23 B9R0.47 N/C(=C/C=C\C=O)C(O)=O HMDB0001280 [0,1,1,0,0,0|2,0,0]=4 24 B9R1.11 CCC(=O)C1=CC=CN1 HMDB0032492 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.11 COC(=O)C1=CC=CO1 HMDB0029750 [1,1,0,0,0,0|0,1,0]=3 26 B9R1.11 COC(=O)C1=CC=CS1 HMDB0029719 [1,1,0,0,0,0|0,0,0]=2 27 B11R1.3 COC1=CC=C(C=C1)C(O)=O HMDB0001101 [0,1,0,0,0,1|2,0,0]=4 28 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,1,0,0,0,1|2,0,0]=4 29 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [0,1,0,0,0,1|2,0,0]=4 30 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.74 OC(=O)C1=CC(=O)NC(=O)N1 HMDB0000226 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.74 OC(=O)C1=CC(O)=CC(O)=C1 HMDB0013677 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.159 NC1=C(O)C=CC=C1C(O)=O HMDB0001476 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.159 OC(=O)C1=C(O)C(O)=CC=C1 HMDB0000397 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 HMDB0000152 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.266 COC1=CC=CC(=C1)C(O)=O HMDB0032606 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.175 OC(=O)C1=CC=C(O1)C(O)=O HMDB0004812 [0,2,0,0,0,0|1,1,0]=4 40 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [0,0,1,1,0,0|2,0,0]=4 41 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [0,0,1,1,0,0|2,0,0]=4 42 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [0,0,1,1,0,0|1,1,0]=4 43 B9R0.55 OC(=O)/C=C/C=C/C(O)=O HMDB0002349 [0,0,1,0,0,1|1,1,0]=4 44 B9R0.55 OC(=O)/C=C\C=C/C(O)=O HMDB0006331 [0,0,1,0,0,1|1,1,0]=4 45 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [1,0,0,0,0,1|2,0,0]=4 46 B9R1.13 OC(=O)CC1=CN=CN1 HMDB0002024 [1,0,0,0,0,1|2,0,0]=4 47 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [0,0,0,0,0,2|2,0,0]=4