0 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.1 O=CC1=CC=C(O)C=C1 HMDB0011718 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 HMDB0060946 [0,1,0,0,0,0|1,0,2]=4 6 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HMDB0001859 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HMDB0060765 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 HMDB0000020 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 HMDB0012219 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.192 NCCC1=CC(O)=C(O)C=C1 HMDB0000073 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.192 OCCC1=CC=C(O)C(O)=C1 HMDB0005784 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|1,0,0]=3 15 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|1,0,0]=3 16 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [2,0,0,0,0,0|0,0,0]=2 17 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [2,0,0,0,0,0|1,0,0]=3 18 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [2,0,0,0,0,0|1,0,1]=4 19 B8R1.3 OC1=CC=C(O)C=C1 HMDB0002434 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.13 C=C(C)C1=CC=C(C)C=C1 HMDB0029641 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.13 CC1=CC=C(C(C)C)C=C1 HMDB0005805 [1,1,0,0,0,0|1,0,0]=3 22 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HMDB0000500 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 HMDB0001232 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.176 O=CC1=CC=C(O)C(O)=C1 HMDB0059965 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.17 CNCCC1=CC=CC=N1 HMDB0015644 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.17 NNCCC1=CC=CC=C1 HMDB0014918 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.18 CC(N)CC1=CC=CC=C1 HMDB0014328 [1,1,0,0,0,0|0,0,0]=2 29 B10R1.18 C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.18 O=C(O)CC1=CC=CC=C1 HMDB0000209 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HMDB0004826 [0,2,0,0,0,0|0,0,0]=2 32 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,2,0,0,0,0|0,0,1]=3 33 B12R1.49 CNC(C)CC1=CC=C(O)C=C1 HMDB0060767 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 HMDB0002072 [0,2,0,0,0,0|1,0,1]=4 35 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,2,0,0,0,0|0,0,1]=3 36 B12R1.19 CC(N)CC1=CC(O)=C(O)C=C1 HMDB0060807 [0,2,0,0,0,0|0,0,0]=2 37 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 HMDB0001336 [0,2,0,0,0,0|1,0,1]=4 38 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 HMDB0041683 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.20 C[C@@H](N)[C@@H](O)C1=CC=C(O)C=C1 HMDB0060592 [0,2,0,0,0,0|0,0,0]=2 40 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 HMDB0000822 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000216 [0,2,0,0,0,0|1,0,0]=3 42 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HMDB0001537 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.44 NCCC1=CC(O)=C(O)C(O)=C1 HMDB0004817 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.286 COC1=C(O)C=CC(CCN)=C1 HMDB0000022 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.286 COC1=C(O)C=CC(CCO)=C1 HMDB0038925 [0,2,0,0,0,0|1,0,0]=3 47 B10R2.7 C1=CC=C2C(=C1)OCC2 HMDB0013815 [1,0,0,1,0,0|1,0,0]=3