0 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 O=C/C=C/CC1=CC=CC=C1 HMDB0029602 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 HMDB0040411 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 HMDB0031731 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 HMDB0031250 [0,1,0,0,0,0|0,0,0]=1 13 B13R2.10 O=C1CCC(N1)C2=CN=CC=C2 HMDB0001297 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.33 O=C1CCC2=CC=CC=C2OC1 HMDB0029714 [0,0,0,1,0,0|2,0,0]=3 15 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,0,0,0,1,0|1,0,0]=2 16 B13R1.718 COC(=O)CCCC1=CC=CC=C1 HMDB0036385 [0,0,0,0,0,1|2,0,0]=3 17 B10R0.71 CC/C=C\C/C=C/C=C/C=O HMDB0032213 [1,0,1,0,0,0|2,0,0]=4 18 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [1,0,1,0,0,0|1,0,1]=4 19 B10R0.74 CCC(=O)OC/C=C/C=C/C HMDB0032314 [1,0,1,0,0,0|0,0,1]=3 20 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [2,0,0,0,0,0|0,0,0]=2 21 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.8 CCCCOCC1=CC=CC=C1 HMDB0031311 [1,1,0,0,0,0|0,0,1]=3 26 B12R1.8 OCCCCCC1=CC=CC=C1 HMDB0031624 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HMDB0031761 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HMDB0032618 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.43 OC(=O)C(=O)CC1=CC=CC=C1 HMDB0000205 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.107 CC(CC(O)=O)C1=CC=CC=C1 HMDB0001955 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.51 CCOC(=O)CCC1=CC=CO1 HMDB0032921 [0,1,0,0,1,0|2,0,0]=4 40 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 HMDB0035014 [0,1,0,0,0,1|0,0,0]=2 41 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 HMDB0031618 [0,1,0,0,0,1|1,0,0]=3 42 B14R1.756 C/C=C(\C)C(=O)OCC1=CC=CC=C1 HMDB0032177 [0,1,0,0,0,1|1,0,1]=4 43 B14R1.5 CCC(=O)/C=C/C1=CC=C(OC)C=C1 HMDB0030905 [0,2,0,0,0,0|1,0,1]=4 44 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 HMDB0032043 [0,2,0,0,0,0|0,0,0]=2 45 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,1,0|1,0,0]=3 46 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,0,0,0,1,0|1,0,0]=3 47 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,1,0|1,0,0]=3 48 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [1,0,0,0,1,0|2,0,0]=4 49 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [1,0,0,0,1,0|2,0,0]=4 50 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,0,0,0,2,0|0,0,0]=2 51 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [0,0,0,0,2,0|0,0,2]=4 52 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [0,0,0,0,2,0|2,0,0]=4 53 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [0,0,0,0,2,0|2,0,0]=4 54 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,0,0,0,2,0|1,0,0]=3 55 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [0,0,0,0,2,0|1,0,0]=3