0 B12R1.27 CC(CCC1=CC=CC=C1)C=O HMDB0032415 [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|3,0,1]=4 2 B11R1.28 CCCCCC1=CN=CC=C1 HMDB0034886 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 CCCCCC1=NC=CC=C1 HMDB0034893 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 O=C/C=C/CC1=CC=CC=C1 HMDB0029602 [1,0,0,0,0,0|0,0,2]=3 5 B11R1.28 O=COCCC1=CC=CC=C1 HMDB0040428 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.28 S=C=NCCC1=CC=CC=C1 HMDB0038445 [1,0,0,0,0,0|1,1,1]=4 7 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|0,0,3]=4 8 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [1,0,0,0,0,0|0,0,3]=4 10 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,0,0|0,0,1]=2 11 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 HMDB0031731 [0,1,0,0,0,0|1,0,1]=3 13 B13R2.10 CC1COC(O1)C2=CC=CC=C2 HMDB0037160 [0,0,0,1,0,0|1,0,2]=4 14 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [0,0,0,0,1,0|0,0,2]=3 15 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [1,0,1,0,0,0|1,0,1]=4 16 B10R1.17 CCCCC1=CN=CC=C1 HMDB0032934 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.17 CSSCC1=CC=CC=C1 HMDB0040590 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 N#CCCC1=CC=CC=C1 HMDB0034236 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|0,0,2]=4 22 B10R1.17 O=CCCC1=CC=CC=C1 HMDB0033716 [2,0,0,0,0,0|0,0,0]=2 23 B10R1.17 O=COCC1=CC=CC=C1 HMDB0041485 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.17 OCCCC1=CC=CC=C1 HMDB0033962 [2,0,0,0,0,0|0,0,1]=3 25 B10R1.17 OCCOC1=CC=CC=C1 HMDB0041607 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.8 CCCCOCC1=CC=CC=C1 HMDB0031311 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.8 O=COC/C=C\C1=CC=CC=C1 HMDB0040577 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.8 O=COCCCC1=CC=CC=C1 HMDB0034471 [1,1,0,0,0,0|0,0,0]=2 29 B12R1.8 OCCCCCC1=CC=CC=C1 HMDB0031624 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.8 S=C=NCCCC1=CC=CC=C1 HMDB0038444 [1,1,0,0,0,0|0,1,1]=4 31 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HMDB0033945 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 HMDB0036183 [1,1,0,0,0,0|0,0,1]=3 34 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HMDB0033723 [1,1,0,0,0,0|0,0,1]=3 35 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HMDB0040460 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HMDB0004366 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [1,1,0,0,0,0|0,0,1]=3 38 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.125 CC(=O)OCC1=CC=CC=C1C HMDB0041472 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.125 OC(=O)CCC1=CC=CC=C1O HMDB0033752 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.226 CC(=O)OCC1=CC=CC(C)=C1 HMDB0041473 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,1,0,0,1,0|0,0,0]=2 45 B12R1.118 COC(CC1=CC=CC=C1)OC HMDB0032615 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.371 CC(CC1=CC=CC=C1C)C=O HMDB0040245 [0,1,0,0,1,0|0,0,0]=2 47 B14R1.818 CC(CCC1=CC=CC=C1)OC(C)=O HMDB0031614 [0,2,0,0,0,0|0,0,0]=2 48 B14R1.818 OC(CCC1=CC=CC=C1)CC(O)=O HMDB0031517 [0,2,0,0,0,0|1,0,0]=3 49 B12R2.24 O=C1CCC2=CC=CC=C2O1 HMDB0036626 [1,0,0,1,0,0|1,0,1]=4 50 B14R2.2950 CC1CC(C)(CO1)C2=CC=CC=C2 HMDB0036021 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.18 CC(=O)OC1=CC=CC=C1 HMDB0040733 [1,0,0,0,1,0|1,0,1]=4 52 B10R1.18 CC(C)CC1=CC=CC=N1 HMDB0037291 [1,0,0,0,1,0|1,0,1]=4 53 B10R1.18 CC(C)CC1=CN=CC=C1 HMDB0037287 [1,0,0,0,1,0|1,0,1]=4 54 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [1,0,0,0,1,0|1,0,1]=4 55 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [0,0,0,0,2,0|0,0,0]=2 56 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [0,0,0,0,2,0|0,0,2]=4