0 B12R1.252 OC(=O)C/C=C/C1=CN=CC=C1 HMDB0001424 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.252 OC(=O)CCCC1=CC=CC=C1 HMDB0000543 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.252 OC(=O)CCCC1=CC=CN=C1 HMDB0001007 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.28 O=C/C=C/CC1=CC=CC=C1 HMDB0029602 [1,0,0,0,0,0|0,0,2]=3 4 B13R1.45 NC(=O)CCC(=O)C1=CN=CC=C1 HMDB0001267 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.45 OC(=O)CCC(=O)C1=CC=CN=C1 HMDB0000992 [0,1,0,0,0,0|1,0,1]=3 6 B13R1.45 OC(=O)CNC(=O)C1=CC=CC=C1 HMDB0000714 [0,1,0,0,0,0|1,0,1]=3 7 B13R1.45 OC(=O)CNC(=O)C1=CC=NC=C1 HMDB0041912 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.45 OC(=O)CNC(=O)C1=CN=CC=C1 HMDB0003269 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.45 OC(CCC(O)=O)C1=CC=CN=C1 HMDB0001119 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 HMDB0031568 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.718 COC(=O)CCCC1=CC=CC=C1 HMDB0036385 [0,1,0,0,0,0|0,0,0]=1 12 B13R2.10 O=C1CCC(N1)C2=CN=CC=C2 HMDB0001297 [0,0,0,1,0,0|2,0,0]=3 13 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [0,0,0,0,1,0|1,0,2]=4 14 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [0,0,0,0,1,0|2,0,0]=3 15 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [0,0,0,0,1,0|1,0,1]=3 16 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [0,0,0,0,1,0|0,0,2]=3 17 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [0,0,0,0,1,0|0,0,2]=3 18 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [0,0,0,0,1,0|0,0,0]=1 19 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [0,0,0,0,1,0|1,0,0]=2 20 B13R1.337 CC(=O)/C=C/CCC1=CC=CC=C1 HMDB0031622 [0,0,0,0,0,1|1,0,1]=3 21 B13R1.337 CC(=O)OC/C=C\C1=CC=CC=C1 HMDB0029699 [0,0,0,0,0,1|1,0,2]=4 22 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [1,0,1,0,0,0|1,0,1]=4 23 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|0,0,2]=4 26 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [2,0,0,0,0,0|0,0,2]=4 27 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [2,0,0,0,0,0|0,0,2]=4 28 B12R1.8 CCCCOCC1=CC=CC=C1 HMDB0031311 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.8 OCCCCCC1=CC=CC=C1 HMDB0031624 [1,1,0,0,0,0|0,0,1]=3 30 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.21 OC(=O)/C=C/C1=CC=C(O)C=C1 HMDB0002035 [0,1,0,0,1,0|0,0,2]=4 32 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [0,1,0,0,1,0|0,0,2]=4 33 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,1,0,0,1,0|0,0,0]=2 34 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [0,1,0,0,1,0|1,0,0]=3 35 B12R1.43 OC(=O)C(/O)=C/C1=CC=CC=C1 HMDB0012225 [0,1,0,0,1,0|0,0,2]=4 36 B12R1.43 OC(=O)C(=O)CC1=CC=CC=C1 HMDB0000205 [0,1,0,0,1,0|0,0,1]=3 37 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [0,1,0,0,1,0|0,0,0]=2 38 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [0,1,0,0,1,0|0,0,0]=2 39 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [0,1,0,0,1,0|0,0,0]=2 40 B12R1.107 CC(CC(O)=O)C1=CC=CC=C1 HMDB0001955 [0,1,0,0,1,0|0,0,0]=2 41 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.125 OC(=O)/C=C/C1=CC=CC=C1O HMDB0002641 [0,1,0,0,1,0|0,0,2]=4 43 B12R1.226 OC(=O)/C=C/C1=CC=CC(O)=C1 HMDB0001713 [0,1,0,0,1,0|0,0,2]=4 44 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [0,1,0,0,1,0|1,0,1]=4 45 B12R1.54 CC(=O)CCC(O)C1=COC=C1 HMDB0030473 [0,1,0,0,1,0|2,0,0]=4 46 B14R1.423 OC(=O)CNC(=O)CC1=CC=CC=C1 HMDB0000821 [0,1,0,0,0,1|0,0,1]=3 47 B14R1.818 CC(CCC1=CC=CC=C1)OC(C)=O HMDB0031614 [0,1,0,0,0,1|1,0,0]=3 48 B14R1.818 OC(CCC1=CC=CC=C1)CC(O)=O HMDB0031517 [0,1,0,0,0,1|0,0,0]=2 49 B14R1.149 CC1=CC(=CC=C1)C(=O)NCC(O)=O HMDB0013245 [0,2,0,0,0,0|1,0,1]=4 50 B14R1.149 OC(=O)CNC(=O)C1=CC(Cl)=CC=C1 HMDB0001309 [0,2,0,0,0,0|1,0,1]=4 51 B14R1.149 OC(=O)CNC(=O)C1=CC(O)=CC=C1 HMDB0006116 [0,2,0,0,0,0|1,0,1]=4 52 B14R1.160 CC1=CC=CC=C1C(=O)NCC(O)=O HMDB0011723 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.160 OC(=O)CNC(=O)C1=CC=CC=C1O HMDB0000840 [0,2,0,0,0,0|1,0,1]=4 54 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 HMDB0000859 [0,2,0,0,0,0|1,0,1]=4 55 B14R1.415 OC(NC(=O)C1=CC=CC=C1)C(O)=O HMDB0002404 [0,2,0,0,0,0|1,0,1]=4 56 B14R1.678 CC(CCC(O)=O)C1=CC=C(C)C=C1 HMDB0039643 [0,2,0,0,0,0|0,0,0]=2 57 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(O)=O HMDB0013292 [0,2,0,0,0,0|1,0,1]=4 58 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(O)=O HMDB0001867 [0,2,0,0,0,0|1,0,1]=4 59 B14R1.678 OC(=O)CNC(=O)C1=CC=C(O)C=C1 HMDB0013678 [0,2,0,0,0,0|1,0,1]=4 60 B14R1.687 CC(O)=NCCC1=CC(O)=C(O)C=C1 HMDB0041943 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 HMDB0031571 [0,2,0,0,0,0|2,0,0]=4 62 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 HMDB0035014 [0,2,0,0,0,0|2,0,0]=4 63 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 HMDB0031618 [0,2,0,0,0,0|0,0,0]=2 64 B14R2.4402 CC1=CC=C(C=C1)C2OC2C(O)=O HMDB0030903 [0,1,0,1,0,0|1,0,0]=3 65 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [0,0,0,0,2,0|2,0,0]=4 66 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [0,0,0,0,2,0|1,0,0]=3 67 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [0,0,0,0,2,0|0,0,0]=2 68 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [0,0,0,0,2,0|1,0,0]=3 69 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [0,0,0,0,2,0|2,0,0]=4 70 B10R1.66 OC(=O)CCC1=CN=CN1 HMDB0002271 [0,0,0,0,2,0|2,0,0]=4