0 B10R1.18 CC(N)CC1=CC=CC=C1 HMDB0014328 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.18 C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.18 O=C(O)CC1=CC=CC=C1 HMDB0000209 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 O=C(O)CC1=CC=CC=N1 HMDB0060722 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 HMDB0060946 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HMDB0001859 [0,1,0,0,0,0|2,0,1]=4 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|2,0,1]=4 9 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HMDB0011743 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 HMDB0001942 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HMDB0002210 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 HMDB0000703 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 HMDB0015517 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.86 O=C(O)CC1=CC=CC=C1O HMDB0000669 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 HMDB0000440 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.509 CC(C)(N)CC1=CC=CC=C1 HMDB0014337 [0,1,0,0,0,0|0,0,0]=1 17 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 HMDB0014890 [0,0,0,1,0,0|0,0,0]=1 18 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,0,0,0,1,0|0,0,0]=1 19 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,0,0,0,1,0|2,0,1]=4 20 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [0,0,0,0,1,0|2,0,1]=4 21 B11R1.91 O=C(O)CCC1=CC=CC=C1 HMDB0000764 [0,0,0,0,0,1|2,0,1]=4 22 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|0,0,0]=2 24 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.17 CNCCC1=CC=CC=N1 HMDB0015644 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.17 NNCCC1=CC=CC=C1 HMDB0014918 [1,1,0,0,0,0|0,0,0]=2 29 B10R1.13 C=C(C)C1=CC=C(C)C=C1 HMDB0029641 [0,1,0,0,1,0|1,0,1]=4 30 B10R1.13 CC1=CC=C(C(C)C)C=C1 HMDB0005805 [0,1,0,0,1,0|1,0,0]=3 31 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,1,0,0,1,0|1,0,1]=4 32 B10R1.61 CC1=CC=CC=C1C(C)C HMDB0037050 [0,1,0,0,1,0|1,0,0]=3 33 B10R1.61 NC(=O)C1=CC=CC=C1O HMDB0015687 [0,1,0,0,1,0|1,0,1]=4 34 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,2,0,0,0,0|1,0,1]=4 35 B12R1.19 CC(N)CC1=CC(O)=C(O)C=C1 HMDB0060807 [0,2,0,0,0,0|0,0,0]=2 36 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 37 B12R1.49 CNC(C)CC1=CC=C(O)C=C1 HMDB0060767 [0,2,0,0,0,0|0,0,0]=2 38 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 HMDB0015451 [0,2,0,0,0,0|0,0,0]=2 39 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 HMDB0014748 [0,2,0,0,0,0|0,0,0]=2 40 B12R1.32 C#CCN(C)CC1=CC=CC=C1 HMDB0015563 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 HMDB0015452 [0,2,0,0,0,0|0,0,0]=2 42 B10R2.7 C1=CC2=C(C=C1)NC=C2 HMDB0000738 [1,0,0,1,0,0|0,0,2]=4 43 B10R2.7 C1=CC=C2C(=C1)OCC2 HMDB0013815 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.8 NCCC1=CC=NN1 HMDB0014417 [1,0,0,0,1,0|2,0,0]=4 45 B8R1.8 NCCC1=CNC=N1 HMDB0000870 [1,0,0,0,1,0|2,0,0]=4