0 B8R0.8 CCCC[C@H](N)C(=O)O YMDB01001 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 CSCCC(=O)C(=O)O YMDB00421 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 CSCC[C@@H](N)C(=O)O YMDB00816 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 CSCC[C@H](N)C(=O)O YMDB00318 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 NCCC[C@H](N)C(=O)O YMDB00353 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 CCC(=O)CCSC YMDB01450 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.3 COC(=O)CCSC YMDB01750 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CC(=O)NCCC=O YMDB00315 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCCCCC(=O)O YMDB01424 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.4 CCCCCC(C)=O YMDB01337 [1,0,0,0,0,0|0,0,1]=2 10 B7R0.4 CCCCCC(C)O YMDB01343 [1,0,0,0,0,0|0,0,3]=4 11 B7R0.5 C=C(C)C(=O)OCC YMDB01685 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.5 CCCC(=O)C(C)=O YMDB01708 [1,0,0,0,0,0|0,0,0]=1 13 B7R0.5 CCCC(O)C(=O)O YMDB01559 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.5 CCC[C@@H](N)C(=O)O YMDB00822 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 CCOC(=O)C(C)O YMDB01429 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.7 O=C(O)CCC(=O)C(=O)O YMDB00153 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.8 CSCCC(=O)\C(O)=C\O YMDB00185 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.47 C=C(C)C(=O)OCCCC YMDB01329 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.47 CCCCOC(=O)C(C)C YMDB01328 [0,1,0,0,0,0|1,0,1]=3 20 B9R0.47 NCCCC[C@H](N)C(=O)O YMDB00330 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.6 O=C(O)C1CCCCN1 YMDB01675 [0,0,0,1,0,0|2,0,1]=4 22 B6R0.1 CCCC(=O)OC YMDB01743 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.1 CCOC(=O)CC YMDB01331 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.4 CCCCC(=O)O YMDB01484 [2,0,0,0,0,0|0,0,1]=3 25 B6R0.4 CCCCC(C)O YMDB01793 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.4 CCCOC(C)=O YMDB01390 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 NCCCC(=O)O YMDB00335 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.6 CCCCCC=O YMDB01759 [2,0,0,0,0,0|0,0,1]=3 29 B6R0.6 CCC\C=C/C=O YMDB01655 [2,0,0,0,0,0|0,0,1]=3 30 B6R0.3 CCC(=O)C(=O)O YMDB00071 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.3 CCC(=O)C(C)=O YMDB01434 [2,0,0,0,0,0|0,0,0]=2 32 B8R0.1 CCCCC(=O)OCC YMDB01342 [1,1,0,0,0,0|0,0,1]=3 33 B8R0.1 CCCOC(=O)CCC YMDB01397 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.1 CCOC(=O)CCCO YMDB01419 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.6 C=CC(=O)CCCCC YMDB01444 [1,1,0,0,0,0|0,0,1]=3 36 B8R0.6 CCCCCC(=O)OC YMDB01333 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.9 C=CC(=O)OCC(C)C YMDB01746 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.7 CC(=O)NCCCC=O YMDB00209 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.7 CC(=O)NCCCCN YMDB00738 [1,1,0,0,0,0|1,0,0]=3 40 B8R0.7 CCCCCCC(=O)O YMDB01705 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.7 CCCCCOC(C)=O YMDB01471 [1,1,0,0,0,0|0,0,1]=3 42 B8R0.28 CC(=O)CCC=C(C)C YMDB00877 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.28 CC(=O)OCCC(C)C YMDB00571 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.2 CC[C@H](C)C(=O)C(=O)O YMDB00168 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.23 CC(C)CC(=O)C(=O)O YMDB00388 [1,1,0,0,0,0|1,0,0]=3 46 B10R0.83 CCCCOC(=O)C(C)CC YMDB01358 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.98 O=C(O)CCCC(=O)C(=O)O YMDB00142 [0,2,0,0,0,0|1,0,1]=4 48 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.50 CC1=C(O)C(=O)CC1 YMDB01663 [1,0,0,1,0,0|0,0,2]=4 50 B8R1.7 CC(=O)C1=NCCC1 YMDB01451 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.7 CC(=O)C1=NCCS1 YMDB01448 [1,0,0,1,0,0|2,0,0]=4