0 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 OC1=CC=CC=C1 HMDB0000228 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [0,1,0,0,0,0|0,0,0]=1 4 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [0,1,0,0,0,0|1,0,0]=2 5 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [0,1,0,0,0,0|0,0,0]=1 6 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [0,1,0,0,0,0|0,0,0]=1 7 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [0,1,0,0,0,0|0,0,1]=2 8 B8R1.3 OC1=CC=C(O)C=C1 HMDB0002434 [0,1,0,0,0,0|0,0,0]=1 9 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [0,1,0,0,0,0|0,0,0]=1 10 B8R1.4 NC1=CC=NC(=O)N1 HMDB0000630 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.4 O=C1C=CNC(=O)N1 HMDB0000300 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.5 CC1=CC=CC=C1O HMDB0002055 [0,1,0,0,0,0|0,0,0]=1 13 B8R1.5 N=C1C=CNC=C1O HMDB0060741 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [0,1,0,0,0,0|0,0,0]=1 15 B6R0.4 C=CCCC(=O)O HMDB0031602 [0,0,1,0,0,0|1,0,2]=4 16 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,0,0,0,1,0|2,0,0]=3 17 B6R1.2 CC1=CNN=C1 HMDB0015344 [0,0,0,0,1,0|3,0,0]=4 18 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000134 [0,1,1,0,0,0|2,0,0]=4 19 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000176 [0,1,1,0,0,0|2,0,0]=4 20 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [0,1,0,0,1,0|1,0,1]=4 21 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,1,0,0,1,0|1,0,0]=3 22 B7R1.1 OCC1=CNN=C1 HMDB0060768 [0,1,0,0,1,0|2,0,0]=4 23 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [0,1,0,0,1,0|2,0,0]=4 24 B7R1.4 CC1=CSC=C1C HMDB0032980 [0,1,0,0,1,0|2,0,0]=4 25 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,2,0,0,0,0|0,0,0]=2 26 B9R1.1 O=CC1=CC=C(O)C=C1 HMDB0011718 [0,2,0,0,0,0|0,0,0]=2 27 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,2,0,0,0,0|1,0,0]=3 28 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,2,0,0,0,0|1,0,1]=4 29 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [0,2,0,0,0,0|0,0,0]=2 30 B9R1.6 O=C(O)C1=CC=CC=N1 HMDB0002243 [0,2,0,0,0,0|1,0,0]=3 31 B9R1.6 O=C(O)C1=CC=NC=C1 HMDB0060665 [0,2,0,0,0,0|1,0,0]=3 32 B9R1.6 O=C(O)C1=CN=CC=C1 HMDB0001488 [0,2,0,0,0,0|1,0,0]=3 33 B9R1.6 O=C(O)C1=CN=CC=N1 HMDB0059734 [0,2,0,0,0,0|2,0,0]=4 34 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [0,2,0,0,0,0|1,0,0]=3 35 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [0,2,0,0,0,0|0,0,0]=2 36 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,2,0,0,0,0|1,0,0]=3 37 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,2,0,0,0,0|0,0,0]=2 38 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 HMDB0041800 [0,2,0,0,0,0|0,0,0]=2 39 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [0,2,0,0,0,0|0,0,0]=2 40 B9R1.3 CC1=CC=CC(C)=C1N HMDB0060677 [0,2,0,0,0,0|1,0,0]=3 41 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [0,2,0,0,0,0|0,0,0]=2 42 B5R1.1 C1=CNC=N1 HMDB0001525 [1,0,0,0,1,0|2,0,0]=4 43 B5R1.1 C1=COC=C1 HMDB0013785 [1,0,0,0,1,0|1,0,0]=3