0 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.166 OC1=CC(O)=C(C=C1)[N+]([O-])=O HMDB0006200 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,0,0,0,0,0|0,0,0]=1 10 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O HMDB0029644 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.1000 OC(=O)C1=C(O)C=C(O)C=C1O HMDB0029649 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [2,0,0,0,0,0|0,0,0]=2 27 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [2,0,0,0,0,0|0,0,1]=3 28 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|1,0,1]=4 29 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.3 COC1=CC=C(C=C1)C(O)=O HMDB0001101 [1,1,0,0,0,0|0,0,0]=2 45 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [1,1,0,0,0,0|0,0,0]=2 48 B11R1.21 OC1=CC=C(C=C1O)[N+]([O-])=O HMDB0002916 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [1,1,0,0,0,0|0,0,0]=2 50 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [1,1,0,0,0,0|0,0,0]=2 52 B11R1.277 CC1=CC(C)=C(C=O)C=C1C HMDB0032015 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.464 CC1=CC(C)=C(C=O)C(C)=C1 HMDB0032016 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.53 CNC1=CC=CC=C1C(O)=O HMDB0032609 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.53 COC1=CC=CC=C1C(C)=O HMDB0032569 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.53 COC1=CC=CC=C1C(O)=O HMDB0032604 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.53 OCC1=CC=CC=C1C(O)=O HMDB0032594 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.156 CC(=O)C1=C(O)C=CC=C1O HMDB0029660 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.156 OC(=O)C1=C(O)C=CC=C1O HMDB0013676 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.159 NC1=C(O)C=CC=C1C(O)=O HMDB0001476 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.159 OC(=O)C1=C(O)C(O)=CC=C1 HMDB0000397 [1,1,0,0,0,0|0,0,0]=2 63 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 HMDB0000152 [1,1,0,0,0,0|0,0,0]=2 66 B11R1.222 COC(=O)C1=CC=CC=C1N HMDB0029703 [1,1,0,0,0,0|1,0,0]=3 67 B13R1.428 COC1=CC(O)=C(C(C)=O)C(O)=C1 HMDB0029646 [0,2,0,0,0,0|1,0,0]=3 68 B13R1.4656 COC(=O)C1=C(O)C=C(O)C=C1O HMDB0029650 [0,2,0,0,0,0|0,0,0]=2 69 B13R1.1511 CCCC(=O)C1=C(O)C=C(O)C=C1 HMDB0032128 [0,2,0,0,0,0|1,0,0]=3 70 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [1,0,0,1,0,0|1,0,0]=3 71 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.662 OC1=CC2=C(C=C1)C(C=O)=CN2 HMDB0031172 [0,1,0,1,0,0|2,0,0]=4 73 B9R0.79 OC(O)=C(O)C(=O)C(O)=O HMDB0002050 [0,0,1,0,1,0|2,0,0]=4 74 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,0,0,0,0,1|2,0,0]=4 75 B11R1.86 CC(=O)OC1=CC=CC=C1C HMDB0032073 [1,0,0,0,0,1|2,0,0]=4 76 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [1,0,0,0,0,1|0,0,0]=2 77 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HMDB0029662 [0,0,0,0,1,1|1,0,0]=3 78 B11R1.74 OC(=O)C1=CC(O)=CC(O)=C1 HMDB0013677 [0,0,0,0,1,1|0,0,0]=2 79 B13R1.164 OC(=O)COC1=C(Cl)C=C(Cl)C=C1 HMDB0041797 [0,0,0,0,0,2|2,0,0]=4