0 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [1,0,0,0,0,0|0,0,0]=1 3 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [1,0,0,0,0,0|1,0,0]=2 4 B7R1.3 OC1=CC=CC=C1 HMDB0000228 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,1,0,0,0,0|1,0,0]=2 6 B9R1.1 O=CC1=CC=C(O)C=C1 HMDB0011718 [0,1,0,0,0,0|0,0,2]=3 7 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,1,0,0,0,0|1,0,2]=4 9 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [0,1,0,0,0,0|0,0,1]=2 10 B9R1.6 O=C(O)C1=CC=CC=N1 HMDB0002243 [0,1,0,0,0,0|1,0,1]=3 11 B9R1.6 O=C(O)C1=CC=NC=C1 HMDB0060665 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.6 O=C(O)C1=CN=CC=C1 HMDB0001488 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.6 O=C(O)C1=CN=CC=N1 HMDB0059734 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [0,0,0,0,1,0|1,0,2]=4 17 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,0,0,0,1,0|1,0,0]=2 18 B7R1.1 OCC1=CNN=C1 HMDB0060768 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [1,1,0,0,0,0|0,0,0]=2 20 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [1,1,0,0,0,0|0,0,0]=2 21 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [1,1,0,0,0,0|0,0,1]=3 22 B8R1.3 OC1=CC=C(O)C=C1 HMDB0002434 [1,1,0,0,0,0|0,0,0]=2 23 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [1,1,0,0,0,0|0,0,0]=2 24 B8R1.5 CC1=CC=CC=C1O HMDB0002055 [1,1,0,0,0,0|0,0,0]=2 25 B8R1.5 N=C1C=CNC=C1O HMDB0060741 [1,1,0,0,0,0|1,0,0]=3 26 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [1,1,0,0,0,0|0,0,0]=2 27 B8R1.7 O=C(O)C1=CC=CN1 HMDB0004230 [0,1,0,0,1,0|1,0,1]=4 28 B8R1.7 O=C(O)C1=CC=CO1 HMDB0000617 [0,1,0,0,1,0|1,0,1]=4 29 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [0,2,0,0,0,0|1,0,0]=3 30 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [0,2,0,0,0,0|0,0,0]=2 31 B10R1.13 C=C(C)C1=CC=C(C)C=C1 HMDB0029641 [0,2,0,0,0,0|1,0,1]=4 32 B10R1.13 CC1=CC=C(C(C)C)C=C1 HMDB0005805 [0,2,0,0,0,0|1,0,0]=3 33 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HMDB0001392 [0,2,0,0,0,0|0,0,1]=3 34 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HMDB0000500 [0,2,0,0,0,0|0,0,1]=3 35 B10R1.13 O=C(O)C1=CN=C(O)C=C1 HMDB0002658 [0,2,0,0,0,0|1,0,1]=4 36 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 HMDB0001232 [0,2,0,0,0,0|1,0,1]=4 37 B10R1.25 O=C1NC=C(CO)C(=O)N1 HMDB0000469 [0,2,0,0,0,0|2,0,0]=4 38 B10R1.176 O=CC1=CC=C(O)C(O)=C1 HMDB0059965 [0,2,0,0,0,0|0,0,2]=4 39 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.113 NC1=CC=CC(C(=O)O)=C1 HMDB0001891 [0,2,0,0,0,0|0,0,1]=3 41 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,2,0,0,0,0|0,0,1]=3 42 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HMDB0002466 [0,2,0,0,0,0|0,0,1]=3 43 B10R1.15 C=C(C=O)C1=CC=CC=C1 HMDB0060671 [0,2,0,0,0,0|0,0,2]=4 44 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,2,0,0,0,0|0,0,2]=4 45 B10R1.61 CC1=C(C(=O)O)C=CC=C1 HMDB0002340 [0,2,0,0,0,0|0,0,1]=3 46 B10R1.61 CC1=CC=CC=C1C(C)C HMDB0037050 [0,2,0,0,0,0|1,0,0]=3 47 B10R1.61 NC(=O)C1=CC=CC=C1O HMDB0015687 [0,2,0,0,0,0|0,0,2]=4 48 B10R1.61 NC1=CC=CC=C1C(=O)O HMDB0001123 [0,2,0,0,0,0|0,0,1]=3 49 B10R1.61 O=C(O)C1=C(O)C=CC=N1 HMDB0013188 [0,2,0,0,0,0|1,0,1]=4 50 B10R1.61 O=C(O)C1=CC=CC=C1O HMDB0001895 [0,2,0,0,0,0|0,0,1]=3 51 B10R1.61 O=C(O)C1=CC=CNC1=O HMDB0059710 [0,2,0,0,0,0|1,0,1]=4 52 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 HMDB0014871 [0,2,0,0,0,0|1,0,1]=4 53 B10R1.17 CNCCC1=CC=CC=N1 HMDB0015644 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.17 NNCCC1=CC=CC=C1 HMDB0014918 [0,2,0,0,0,0|1,0,0]=3 55 B10R1.18 CC(N)CC1=CC=CC=C1 HMDB0014328 [0,2,0,0,0,0|1,0,0]=3 56 B10R1.18 C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [0,2,0,0,0,0|1,0,0]=3 57 B10R1.18 O=C(O)CC1=CC=CC=C1 HMDB0000209 [0,2,0,0,0,0|0,0,0]=2 58 B10R1.18 O=C(O)CC1=CC=CC=N1 HMDB0060722 [0,2,0,0,0,0|1,0,0]=3 59 B10R2.7 C1=CC2=C(C=C1)NC=C2 HMDB0000738 [0,1,0,1,0,0|1,0,1]=4 60 B10R2.7 C1=CC=C2C(=C1)OCC2 HMDB0013815 [0,1,0,1,0,0|0,0,0]=2 61 B6R1.2 CC1=CC=CO1 HMDB0013749 [1,0,0,0,1,0|1,0,0]=3 62 B6R1.2 CC1=CNN=C1 HMDB0015344 [1,0,0,0,1,0|2,0,0]=4