0 B14R1.686 NC(CC1=CC(Cl)=C(O)C=C1)C(O)=O HMDB0001885 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.686 NC(CC1=CC=C(O)C(Br)=C1)C(O)=O HMDB0005874 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(O)=O HMDB0000609 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.686 N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O HMDB0001229 [0,0,0,0,0,0|0,0,2]=2 4 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O HMDB0000181 [0,0,0,0,0,0|0,0,0]=0 5 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O HMDB0000021 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.686 OC(CC1=CC(O)=C(O)C=C1)C(O)=O HMDB0003503 [0,0,0,0,0,0|1,0,0]=1 7 B13R1.133 NC(CC1=CC=C(N)C=C1)C(O)=O HMDB0030397 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.133 NC(CC1=CC=C(O)C=C1)C(N)=O HMDB0013319 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O HMDB0000158 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.133 OC(=O)C(/O)=C/C1=CC=C(O)C=C1 HMDB0006915 [1,0,0,0,0,0|1,0,2]=4 11 B13R1.133 OC(=O)C(=O)CC1=CC=C(O)C=C1 HMDB0000707 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.133 OC(CC1=CC=C(O)C=C1)C(O)=O HMDB0000755 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.148 OC(=O)C(=O)CC1=CC(O)=CC=C1 HMDB0011663 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.511 OC(=O)/C=C/C1=CC(O)=C(O)C=C1 HMDB0003501 [1,0,0,0,0,0|0,0,2]=3 15 B13R1.511 OC(=O)/C=C\C1=CC=C(O)C(O)=C1 HMDB0001964 [1,0,0,0,0,0|0,0,2]=3 16 B15R1.4038 COC1=C(O)C=CC(CC(=O)C(O)=O)=C1 HMDB0011714 [0,1,0,0,0,0|1,0,1]=3 17 B15R1.4038 COC1=CC(CC(N)C(O)=O)=CC=C1O HMDB0001434 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.4038 COC1=CC(CC(O)C(O)=O)=CC=C1O HMDB0000913 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.8394 N[C@@H](CC1=CC(=O)C(=O)C=C1O)C(O)=O HMDB0011639 [0,1,0,0,0,0|0,0,2]=3 20 B15R1.11316 C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O HMDB0011754 [0,1,0,0,0,0|0,0,0]=1 21 B15R1.28955 [C@H](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O HMDB0003474 [0,1,0,0,0,0|1,0,0]=2 22 B13R0.353 CC(C/C=C/C=C(\C)C(O)=O)C(O)=O HMDB0034099 [0,0,1,0,0,0|3,0,0]=4 23 B15R2.1102 OC(=O)C1=CC2=C(N1)C=C(O)C(O)=C2 HMDB0001253 [0,0,0,1,0,0|0,0,2]=3 24 B15R2.1102 OC(=O)C1CC2=CC(=O)C(=O)C=C2N1 HMDB0011622 [0,0,0,1,0,0|0,0,2]=3 25 B15R2.1102 OC(=O)[C@@H]1CC2=CC(O)=C(O)C=C2N1 HMDB0004067 [0,0,0,1,0,0|0,0,0]=1 26 B15R2.1102 [O]C1=C(O)C=C2N[C@H](CC2=C1)C(O)=O HMDB0012931 [0,0,0,1,0,0|0,0,1]=2 27 B13R1.510 OC(C(O)=O)C1=CC=C(O)C(O)=C1 HMDB0001866 [0,0,0,0,1,0|1,0,0]=2 28 B12R1.21 OC(=O)/C=C/C1=CC=C(O)C=C1 HMDB0002035 [2,0,0,0,0,0|0,0,2]=4 29 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [2,0,0,0,0,0|0,0,2]=4 30 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [2,0,0,0,0,0|0,0,0]=2 31 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.43 OC(=O)C(=O)CC1=CC=CC=C1 HMDB0000205 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.226 OC(=O)/C=C/C1=CC=CC(O)=C1 HMDB0001713 [2,0,0,0,0,0|0,0,2]=4 38 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0032020 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0041888 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.19 OC(=O)CC1=CC(O)=C(O)C=C1 HMDB0001336 [2,0,0,0,0,0|1,0,1]=4 42 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 HMDB0032590 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.41 COC1=C(O)C=CC(=C1)[C@H](O)C(O)=O HMDB0000291 [0,1,0,0,1,0|1,0,0]=3 44 B16R1.1058 N[C@@H](CC1=CC=C(O)C(=C1)[N+]([O-])=O)C(O)=O HMDB0001904 [0,2,0,0,0,0|0,0,1]=3 45 B14R2.4402 CC1=CC=C(C=C1)C2OC2C(O)=O HMDB0030903 [1,0,0,1,0,0|2,0,0]=4 46 B16R2.11380 OC1=C(O)C=C(CC2CCC(=O)O2)C=C1 HMDB0029185 [0,0,0,1,0,1|2,0,0]=4 47 B12R1.20 OC(C(O)=O)C1=CC=C(O)C=C1 HMDB0000822 [1,0,0,0,1,0|1,0,0]=3 48 B12R1.225 OC(C(O)=O)C1=CC(O)=CC=C1 HMDB0000750 [1,0,0,0,1,0|1,0,0]=3 49 B12R1.367 OC(C=O)C1=CC(O)=C(O)C=C1 HMDB0006242 [1,0,0,0,1,0|1,0,0]=3 50 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [1,0,0,0,1,0|1,0,1]=4 51 B14R1.687 CC(O)=NCCC1=CC(O)=C(O)C=C1 HMDB0041943 [1,0,0,0,0,1|1,0,0]=3