0 B10R1.113 C[N+]1=CC(=CC=C1)C([O-])=O HMDB0000875 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.113 C[N+]1=CC=CC(=C1)C(N)=O HMDB0000699 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HMDB0029662 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.266 COC1=CC=CC(=C1)C(O)=O HMDB0032606 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.41 NC(=O)C1=C(N)N=CN1 HMDB0003192 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [0,0,0,0,0,1|3,0,0]=4 17 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,1,0,0,0|1,0,1]=4 18 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.61 CC(=O)C1=NC=CN=C1C HMDB0030001 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.31 OCC1=CC=C(O1)C(O)=O HMDB0002432 [0,1,0,0,1,0|2,0,0]=4 30 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 HMDB0032159 [0,1,0,0,1,0|1,0,0]=3 31 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,1,0,0,1,0|1,0,0]=3 33 B10R1.39 CCN1C=CC=C1C(C)=O HMDB0029759 [0,1,0,0,1,0|2,0,0]=4 34 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,1,0,1,0|1,0,0]=3 35 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [1,0,0,0,1,0|1,0,0]=3 36 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|1,0,1]=4 37 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|1,0,1]=4 38 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [1,0,0,0,1,0|1,0,1]=4 39 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [1,0,0,0,1,0|1,0,1]=4 40 B8R1.11 CC1=C(SC=N1)C=C HMDB0031858 [1,0,0,0,1,0|1,0,1]=4 41 B8R1.11 CCC1=C(C)N=CS1 HMDB0029732 [1,0,0,0,1,0|1,0,1]=4 42 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,0,0,0,1,0|1,0,1]=4 43 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [1,0,0,0,1,0|2,0,0]=4 44 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [1,0,0,0,1,0|2,0,0]=4 45 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,0,1|2,0,0]=4