0 B8R1.5 CC1=CC=CC=C1O HMDB0002055 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.5 N=C1C=CNC=C1O HMDB0060741 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [1,0,0,0,0,0|0,0,0]=1 4 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [1,0,0,0,0,0|1,0,0]=2 5 B7R1.3 OC1=CC=CC=C1 HMDB0000228 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.3 CC1=CC=CC(C)=C1N HMDB0060677 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [0,1,0,0,0,0|0,0,0]=1 9 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.69 CC1=CNC(=O)NC1=O HMDB0000262 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 HMDB0041800 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.4 CC1=CSC=C1C HMDB0032980 [0,0,0,0,1,0|2,0,0]=3 15 B7R1.4 CN1C=CNC1=S HMDB0014901 [0,0,0,0,1,0|2,1,0]=4 16 B8R0.23 C\C(=C\C(=O)O)C(=O)O HMDB0000634 [0,1,1,0,0,0|2,0,0]=4 17 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [1,1,0,0,0,0|0,0,0]=2 18 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [1,1,0,0,0,0|0,0,0]=2 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 B10R1.22 CC1=CC(O)=CC(C)=C1N HMDB0060681 [0,2,0,0,0,0|1,0,0]=3 25 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 HMDB0014871 [0,2,0,0,0,0|1,0,0]=3 26 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,2,0,0,0,0|0,0,0]=2 27 B10R1.61 CC1=C(C(=O)O)C=CC=C1 HMDB0002340 [0,2,0,0,0,0|0,0,0]=2 28 B10R1.61 CC1=CC=CC=C1C(C)C HMDB0037050 [0,2,0,0,0,0|1,0,0]=3 29 B10R1.61 NC(=O)C1=CC=CC=C1O HMDB0015687 [0,2,0,0,0,0|0,0,1]=3 30 B10R1.61 NC1=CC=CC=C1C(=O)O HMDB0001123 [0,2,0,0,0,0|1,0,0]=3 31 B10R1.61 O=C(O)C1=C(O)C=CC=N1 HMDB0013188 [0,2,0,0,0,0|1,0,1]=4 32 B10R1.61 O=C(O)C1=CC=CC=C1O HMDB0001895 [0,2,0,0,0,0|0,0,1]=3 33 B10R1.61 O=C(O)C1=CC=CNC1=O HMDB0059710 [0,2,0,0,0,0|2,0,0]=4 34 B10R1.176 O=CC1=CC=C(O)C(O)=C1 HMDB0059965 [0,2,0,0,0,0|1,0,0]=3 35 B8R1.1 CSC1=CC=C(C)O1 HMDB0041566 [0,0,1,1,0,0|1,0,1]=4 36 B8R1.7 O=C(O)C1=CC=CN1 HMDB0004230 [0,0,1,1,0,0|2,0,0]=4 37 B8R1.7 O=C(O)C1=CC=CO1 HMDB0000617 [0,0,1,1,0,0|2,0,0]=4 38 B10R2.7 C1=CC2=C(C=C1)NC=C2 HMDB0000738 [0,1,0,1,0,0|1,0,1]=4 39 B10R2.7 C1=CC=C2C(=C1)OCC2 HMDB0013815 [0,1,0,1,0,0|0,0,0]=2 40 B6R1.2 CC1=CC=CO1 HMDB0013749 [1,0,0,0,1,0|1,0,0]=3 41 B6R1.2 CC1=CNN=C1 HMDB0015344 [1,0,0,0,1,0|2,0,0]=4