0 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HMDB0032618 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [0,1,0,0,0,0|1,0,2]=4 10 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.118 COC(CC1=CC=CC=C1)OC HMDB0032615 [0,1,0,0,0,0|1,0,0]=2 16 B12R2.18 CC1C(O)CC2=CC=NC=C12 HMDB0030175 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [0,0,0,0,1,0|2,0,0]=3 18 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,0,0,0,1,0|2,0,1]=4 20 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [0,0,0,0,1,0|2,0,1]=4 22 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [0,0,0,0,1,0|3,0,0]=4 24 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,0,0,0,0,1|2,0,1]=4 25 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,0,0,0,0,1|2,0,1]=4 26 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [2,0,0,0,0,0|0,0,0]=2 29 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.1 CNCCC1=CC=C(O)C=C1 HMDB0003633 [1,1,0,0,0,0|0,0,0]=2 32 B11R1.1 OCCCC1=CC=C(O)C=C1 HMDB0032599 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.16 CNCC(O)C1=CC=CC=C1 HMDB0001387 [1,1,0,0,0,0|0,0,0]=2 34 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.36 CC(N(C)C)C1=CC=CC=C1 HMDB0032243 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.86 CC(C)OC1=CC=CC=C1O HMDB0041804 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.509 CC(C)(O)CC1=CC=CC=C1 HMDB0031570 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,1,0|2,0,0]=4 41 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,1,0|2,0,0]=4 42 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 HMDB0031731 [0,1,0,0,0,1|1,0,0]=3 43 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 HMDB0031568 [0,2,0,0,0,0|2,0,0]=4 44 B11R2.20 C1CC2=C(CN1)C=CC=C2 HMDB0012489 [1,0,0,1,0,0|0,0,0]=2 45 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,1,0|0,0,0]=2 46 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,1,0|1,0,0]=3 47 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,1,0|1,0,0]=3 48 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [1,0,0,0,1,0|1,0,0]=3 49 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [1,0,0,0,1,0|1,0,1]=4 50 B9R1.13 CC(C)CC1=NC=CS1 HMDB0031862 [1,0,0,0,1,0|2,0,0]=4