0 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 HMDB0035013 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.718 COC(=O)CCCC1=CC=CC=C1 HMDB0036385 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.8 CCCCCCC1=CN=CC=C1 HMDB0039804 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.8 CCCCOCC1=CC=CC=C1 HMDB0031311 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.8 O=COCCCC1=CC=CC=C1 HMDB0034471 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.8 OCCCCCC1=CC=CC=C1 HMDB0031624 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.8 S=C=NCCCC1=CC=CC=C1 HMDB0038444 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HMDB0033945 [1,0,0,0,0,0|1,0,0]=2 8 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 HMDB0035014 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 HMDB0031618 [0,1,0,0,0,0|0,0,0]=1 10 B14R1.6449 CC(C)C(=O)OCCC1=CC=CC=C1 HMDB0035015 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,0,0,0,1,0|2,0,0]=3 12 B12R1.27 COC(=O)/C=C\C1=CC=CC=C1 HMDB0033833 [0,0,0,0,1,0|0,0,2]=3 13 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,0,0,0,1,0|0,0,0]=1 14 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HMDB0033374 [0,0,0,0,1,0|3,0,0]=4 15 B14R1.716 CCC(=O)OC/C=C\C1=CC=CC=C1 HMDB0041315 [0,0,0,0,0,1|1,0,2]=4 16 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 HMDB0036388 [0,0,0,0,0,1|1,0,0]=2 17 B11R1.28 CCCCCC1=CN=CC=C1 HMDB0034886 [2,0,0,0,0,0|1,0,1]=4 18 B11R1.28 CCCCCC1=NC=CC=C1 HMDB0034893 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.28 O=C/C=C/CC1=CC=CC=C1 HMDB0029602 [2,0,0,0,0,0|0,0,2]=4 20 B11R1.28 O=COCCC1=CC=CC=C1 HMDB0040428 [2,0,0,0,0,0|1,0,0]=3 21 B13R1.337 CC(=O)/C=C/CCC1=CC=CC=C1 HMDB0031622 [1,1,0,0,0,0|1,0,1]=4 22 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 HMDB0033386 [1,1,0,0,0,0|2,0,0]=4 23 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 HMDB0031568 [1,1,0,0,0,0|1,0,1]=4 24 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 HMDB0040287 [0,1,0,0,1,0|2,0,0]=4 25 B15R1.3664 CC(C)C(=O)OCCCC1=CC=CC=C1 HMDB0034472 [0,1,0,0,0,1|1,0,0]=3 26 B15R1.3664 CC(C)C(=O)OCCOC1=CC=CC=C1 HMDB0040218 [0,1,0,0,0,1|2,0,0]=4 27 B15R1.89 CCCC(=O)OCC(C)C1=CC=CC=C1 HMDB0034469 [0,2,0,0,0,0|2,0,0]=4 28 B15R1.500 CC(C)C(=O)OCC(C)C1=CC=CC=C1 HMDB0034470 [0,2,0,0,0,0|2,0,0]=4 29 B15R1.157 CCCCC(=O)OCCC1=CC=CC=C1 HMDB0035016 [0,2,0,0,0,0|2,0,0]=4 30 B15R1.809 CCCC(=O)OC(C)CC1=CC=CC=C1 HMDB0036391 [0,2,0,0,0,0|2,0,0]=4 31 B15R1.9084 CC(C)=CC(=O)OCCC1=CC=CC=C1 HMDB0037721 [0,2,0,0,0,0|2,0,0]=4 32 B15R1.9084 CC(C)CC(=O)OCCC1=CC=CC=C1 HMDB0035017 [0,2,0,0,0,0|2,0,0]=4 33 B13R2.33 O=C1CCC2=CC=CC=C2OC1 HMDB0029714 [0,0,0,1,1,0|2,0,0]=4 34 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 HMDB0029738 [0,0,0,1,0,1|0,0,2]=4 35 B15R2.1342 CCOC(=O)C1OC1C2=CC=CC=C2 HMDB0031623 [0,1,0,1,0,0|1,0,0]=3 36 B15R2.2196 C(CC1CCCO1)CC2=CC=CC=C2 HMDB0036178 [0,1,0,1,0,0|1,0,1]=4 37 B15R3.794 O=C1CCC2=CC=CC3=C2N1CC3 HMDB0037113 [0,0,0,2,0,0|2,0,0]=4 38 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,1,0|0,0,2]=4 39 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,1,0|1,0,0]=3 40 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,1,0|0,0,2]=4 41 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,1,0|1,0,0]=3 42 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,0,0,0,2,0|0,0,0]=2