0 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|0,0,1]=2 6 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [0,1,0,0,0,0|0,0,1]=2 15 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,1,0,0,0,0|0,0,2]=3 16 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.3 COC1=CC=C(C=C1)C(O)=O HMDB0001101 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.83 COC1=CC=C(/C=C\C)C=C1 HMDB0030837 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [1,0,1,0,0,0|0,0,1]=3 21 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [1,0,1,0,0,0|2,0,0]=4 22 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|0,0,0]=2 26 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,0]=3 27 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|0,0,1]=3 28 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [2,0,0,0,0,0|0,0,1]=3 29 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [2,0,0,0,0,0|1,0,1]=4 30 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,1,0,0,0,0|0,0,2]=4 32 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|0,0,0]=2 33 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|0,0,1]=3 34 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|0,0,1]=3 35 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|0,0,1]=3 36 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|0,0,2]=4 37 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|0,0,1]=3 39 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,1,0,0,0,0|0,0,1]=3 42 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.31 OCC1=CC=C(O1)C(O)=O HMDB0002432 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 HMDB0032639 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 HMDB0041493 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)=O HMDB0032025 [0,2,0,0,0,0|0,0,0]=2 55 B12R1.256 OC(=O)C1=CC=C(C=C1)C(O)=O HMDB0002428 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.4 COC1=CC=C(CC(O)=O)C=C1 HMDB0002072 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.71 COC1=CC=C(/C=C/C=O)C=C1 HMDB0032611 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.71 COC1=CC=C(/C=C/CO)C=C1 HMDB0032586 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.288 COC1=C(O)C=C(CCN)C=C1 HMDB0012162 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 HMDB0032138 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.2 CCC1=C(O)C(=O)C=CO1 HMDB0031735 [0,0,1,1,0,0|2,0,0]=4 62 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [1,0,0,0,1,0|1,0,0]=3 63 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|1,0,1]=4 64 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|1,0,1]=4 65 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [0,0,0,0,1,1|1,0,0]=3