0 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.133 NC(CC1=CC=C(N)C=C1)C(O)=O HMDB0030397 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.202 OC(CC1=C(O)C=CC=C1)C(O)=O HMDB0033624 [0,1,0,0,0,0|1,0,0]=2 10 B13R2.369 OC1OC2=CC=CC=C2NC1=O HMDB0038318 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.35 NC(CN1C=CC=N1)C(O)=O HMDB0034267 [0,0,0,0,1,0|2,0,0]=3 12 B11R1.35 N[C@@H](CC1=CN=CN1)C(O)=O HMDB0000177 [0,0,0,0,1,0|2,0,0]=3 13 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 HMDB0035243 [0,0,0,0,1,0|2,0,1]=4 14 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.17 N#CCCC1=CC=CC=C1 HMDB0034236 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|0,0,2]=4 17 B10R1.17 O=CCCC1=CC=CC=C1 HMDB0033716 [2,0,0,0,0,0|0,0,0]=2 18 B10R1.17 O=COCC1=CC=CC=C1 HMDB0041485 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.17 OCCCC1=CC=CC=C1 HMDB0033962 [2,0,0,0,0,0|0,0,1]=3 20 B10R1.17 OCCOC1=CC=CC=C1 HMDB0041607 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.371 CC(CC1=CC=CC=C1C)C=O HMDB0040245 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 HMDB0036183 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HMDB0033723 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HMDB0040460 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.27 CC(CCC1=CC=CC=C1)C=O HMDB0032415 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.27 COC(=O)/C=C\C1=CC=CC=C1 HMDB0033833 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [1,1,0,0,0,0|0,0,0]=2 31 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HMDB0033374 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.125 CC(=O)OCC1=CC=CC=C1C HMDB0041472 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.125 OC(=O)/C=C\C1=CC=CC=C1O HMDB0041592 [1,1,0,0,0,0|0,0,2]=4 35 B12R1.125 OC(=O)CCC1=CC=CC=C1O HMDB0033752 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.226 CC(=O)OCC1=CC=CC(C)=C1 HMDB0041473 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.891 OS(=O)(=O)OCC1=CC=CC=C1 HMDB0034782 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.104 NC(CN1OC(=O)C=C1)C(O)=O HMDB0034322 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.20 CC(C(O)=O)C1=CC=C(O)C=C1 HMDB0041683 [0,1,0,0,1,0|1,0,0]=3 41 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 HMDB0031571 [0,1,0,0,0,1|2,0,0]=4 42 B14R1.3 COC1=CC=C(CC(O)C(O)=O)C=C1 HMDB0039427 [0,2,0,0,0,0|1,0,0]=3 43 B14R1.3 COC1=CC=C(OC(C)C(O)=O)C=C1 HMDB0040256 [0,2,0,0,0,0|2,0,0]=4 44 B14R1.536 ONC(CC1=CC=C(O)C=C1)C(O)=O HMDB0038750 [0,2,0,0,0,0|0,0,0]=2 45 B14R1.686 NC(=O)C(O)CC1=CC(O)=C(O)C=C1 HMDB0038336 [0,2,0,0,0,0|2,0,0]=4 46 B14R1.686 NC(CC1=CC(=O)C(=O)C=C1)C(O)=O HMDB0039119 [0,2,0,0,0,0|0,0,0]=2 47 B14R1.5971 NC(CN1C(O)=NC=CC1=O)C(O)=O HMDB0030376 [0,2,0,0,0,0|2,0,0]=4 48 B14R2.4402 CC1=CC=C(C=C1)C2OC2C(O)=O HMDB0030903 [0,1,0,1,0,0|1,0,0]=3 49 B14R2.8188 OC1OC2=CC=CC=C2N(O)C1=O HMDB0033733 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,0,0,0,1,0|1,0,0]=3 51 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,0,0,0,1,0|1,0,1]=4 52 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [1,0,0,0,1,0|2,0,0]=4 53 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HMDB0033945 [1,0,0,0,0,1|1,0,0]=3 54 B14R1.818 CC(CCC1=CC=CC=C1)OC(C)=O HMDB0031614 [0,0,0,0,0,2|2,0,0]=4 55 B14R1.818 OC(CCC1=CC=CC=C1)CC(O)=O HMDB0031517 [0,0,0,0,0,2|1,0,0]=3