0 B8R1.7 O=C(O)C1=CC=CN1 HMDB0004230 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.7 O=C(O)C1=CC=CO1 HMDB0000617 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 O=C(O)C1=CNN=C1 HMDB0060760 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [1,0,0,0,0,0|1,0,0]=2 4 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.35 CC1=CC=C(C(=O)O)O1 HMDB0059735 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.41 NC(=O)C1=C(N)N=CN1 HMDB0003192 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,0,0,0,0,1|2,0,1]=4 8 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,0,0,0,0,1|1,0,1]=3 9 B9R1.6 NC(=O)C1=NC=CN=C1 HMDB0014483 [0,0,0,0,0,1|1,0,1]=3 10 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [0,0,0,0,0,1|2,0,0]=3 11 B9R1.6 O=C(O)C1=CC=CC=N1 HMDB0002243 [0,0,0,0,0,1|1,0,1]=3 12 B9R1.6 O=C(O)C1=CC=NC=C1 HMDB0060665 [0,0,0,0,0,1|2,0,0]=3 13 B9R1.6 O=C(O)C1=CN=CC=C1 HMDB0001488 [0,0,0,0,0,1|1,0,1]=3 14 B9R1.6 O=C(O)C1=CN=CC=N1 HMDB0059734 [0,0,0,0,0,1|1,0,1]=3 15 B9R1.13 O=C(O)CC1=CN=CN1 HMDB0002024 [0,0,0,0,0,1|2,0,0]=3 16 B6R1.2 CC1=CC=CO1 HMDB0013749 [2,0,0,0,0,0|1,0,0]=3 17 B8R1.1 CSC1=CC=C(C)O1 HMDB0041566 [1,1,0,0,0,0|2,0,0]=4 18 B8R1.8 NCCC1=CC=NN1 HMDB0014417 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.13 C=C(C)C1=CC=C(C)C=C1 HMDB0029641 [0,1,0,0,0,1|2,0,0]=4 20 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HMDB0001392 [0,1,0,0,0,1|2,0,0]=4 21 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HMDB0000500 [0,1,0,0,0,1|2,0,0]=4 22 B10R1.13 O=C(O)C1=CN=C(O)C=C1 HMDB0002658 [0,1,0,0,0,1|1,0,1]=4 23 B10R1.15 C=C(C=O)C1=CC=CC=C1 HMDB0060671 [0,1,0,0,0,1|1,0,1]=4 24 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [0,1,0,0,0,1|0,0,1]=3 25 B10R1.15 NNC(=O)C1=CC=NC=C1 HMDB0015086 [0,1,0,0,0,1|2,0,0]=4 26 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,1,0,0,0,1|1,0,0]=3 27 B10R1.61 CC1=C(C(=O)O)C=CC=C1 HMDB0002340 [0,1,0,0,0,1|2,0,0]=4 28 B10R1.61 NC(=O)C1=CC=CC=C1O HMDB0015687 [0,1,0,0,0,1|2,0,0]=4 29 B10R1.61 NC1=CC=CC=C1C(=O)O HMDB0001123 [0,1,0,0,0,1|2,0,0]=4 30 B10R1.61 O=C(O)C1=C(O)C=CC=N1 HMDB0013188 [0,1,0,0,0,1|1,0,1]=4 31 B10R1.61 O=C(O)C1=CC=CC=C1O HMDB0001895 [0,1,0,0,0,1|2,0,0]=4 32 B10R1.61 O=C(O)C1=CC=CNC1=O HMDB0059710 [0,1,0,0,0,1|1,0,0]=3 33 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 HMDB0000875 [0,1,0,0,0,1|1,0,1]=4 34 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HMDB0000699 [0,1,0,0,0,1|1,0,1]=4 35 B10R1.113 NC1=CC=CC(C(=O)O)=C1 HMDB0001891 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HMDB0002466 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.64 CN1C=NC=C1CC(=O)O HMDB0004988 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.31 O=C(O)C1=CC=C(CO)O1 HMDB0002432 [0,2,0,0,0,0|2,0,0]=4 40 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [0,0,1,1,0,0|2,0,0]=4 41 B8R1.4 NC1=CC=NC(=O)N1 HMDB0000630 [0,0,1,1,0,0|2,0,0]=4 42 B8R1.5 CC1=CC=CC=C1O HMDB0002055 [0,0,1,1,0,0|2,0,0]=4 43 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [1,0,0,0,0,1|2,0,0]=4 44 B10R1.18 O=C(O)CC1=CC=CC=C1 HMDB0000209 [0,0,0,0,0,2|2,0,0]=4 45 B10R1.18 O=C(O)CC1=CC=CC=N1 HMDB0060722 [0,0,0,0,0,2|1,0,1]=4