0 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 HMDB0060946 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HMDB0001859 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HMDB0060765 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 HMDB0000020 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 CC(N)CC1=CC=CC=C1 HMDB0014328 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.18 C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.18 O=C(O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.18 O=C(O)CC1=CC=CC=N1 HMDB0060722 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 HMDB0002072 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 HMDB0001336 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 HMDB0041683 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 HMDB0000822 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.106 CC1=CC=C(OS(=O)(=O)O)C=C1 HMDB0011635 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 HMDB0014500 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.13 C=C(C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,1,0|1,0,0]=2 16 B10R1.13 CC1=CC=C(C(C)C)C=C1 HMDB0005805 [0,0,0,0,1,0|1,0,1]=3 17 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HMDB0001392 [0,0,0,0,1,0|2,0,0]=3 18 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.13 O=C(O)C1=CN=C(O)C=C1 HMDB0002658 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 HMDB0001232 [0,0,0,0,1,0|3,0,0]=4 21 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,0,0,0,0,1|3,0,0]=4 22 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 HMDB0030677 [0,0,0,0,0,1|3,0,0]=4 23 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HMDB0002035 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.1 O=CC1=CC=C(O)C=C1 HMDB0011718 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HMDB0011743 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HMDB0002210 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 HMDB0001587 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 HMDB0000703 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.86 O=C(O)CC1=CC=CC=C1O HMDB0000669 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 HMDB0000440 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 HMDB0060015 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 HMDB0002097 [0,1,0,0,1,0|1,0,0]=3 34 B11R1.3 COC1=CC=C(C(=O)O)C=N1 HMDB0059749 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 HMDB0035770 [0,1,0,0,1,0|1,0,1]=4 36 B11R1.21 CC1=CC(C(=O)O)=CC=C1O HMDB0004815 [0,1,0,0,1,0|2,0,0]=4 37 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 HMDB0001856 [0,1,0,0,1,0|2,0,0]=4 38 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 HMDB0001878 [0,1,0,0,1,0|1,0,1]=4 39 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 HMDB0014378 [0,1,0,0,1,0|2,0,0]=4 40 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,0,0,1,0|2,0,0]=4 41 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 HMDB0002040 [0,1,0,0,0,1|2,0,0]=4 42 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 HMDB0041797 [0,1,0,0,0,1|2,0,0]=4 43 B13R1.35 COC1=CC=C(CC(=O)O)C=C1O HMDB0000333 [0,2,0,0,0,0|2,0,0]=4 44 B13R2.3683 CC1=CC2=C(C=C1)C=C(C)C=C2 HMDB0059764 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,1,0|1,0,1]=4 46 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [1,0,0,0,1,0|2,0,0]=4 47 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [1,0,0,0,1,0|1,0,0]=3 48 B9R1.6 O=C(O)C1=CC=CC=N1 HMDB0002243 [1,0,0,0,1,0|2,0,0]=4 49 B9R1.6 O=C(O)C1=CC=NC=C1 HMDB0060665 [1,0,0,0,1,0|2,0,0]=4 50 B9R1.6 O=C(O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,1,0|2,0,0]=4 51 B9R1.35 CC1=CC=C(C(=O)O)O1 HMDB0059735 [0,0,0,0,2,0|2,0,0]=4 52 B11R1.91 O=C(O)CCC1=CC=CC=C1 HMDB0000764 [1,0,0,0,0,1|2,0,0]=4 53 B11R1.91 O=C(O)\C=C/C1=CC=CC=C1 HMDB0000567 [1,0,0,0,0,1|2,0,0]=4