0 B7R0.3 CCC(=O)CCSC YMDB01450 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.3 COC(=O)CCSC YMDB01750 [0,0,0,0,0,0|0,0,0]=0 2 B6R0.1 CCCC(=O)OC YMDB01743 [1,0,0,0,0,0|0,0,0]=1 3 B6R0.1 CCOC(=O)CC YMDB01331 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.4 CCCCC(=O)O YMDB01484 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 CCCCC(C)O YMDB01793 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 CCCOC(C)=O YMDB01390 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 NCCCC(=O)O YMDB00335 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 O=CCCC(=O)O YMDB00236 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.1 CCCCC(=O)OCC YMDB01342 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.1 CCCOC(=O)CCC YMDB01397 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.1 CCOC(=O)CCCO YMDB01419 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.6 C=CC(=O)CCCCC YMDB01444 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.6 CCCCCC(=O)OC YMDB01333 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.8 CSCCC(=O)C(=O)O YMDB00421 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.50 CC1=C(O)C(=O)CC1 YMDB01663 [0,0,0,1,0,0|3,0,0]=4 17 B5R0.1 CC(C)=CCS YMDB01604 [2,0,0,0,0,0|1,0,1]=4 18 B5R0.1 CCCC(=O)O YMDB01392 [2,0,0,0,0,0|0,0,0]=2 19 B5R0.1 CCCC([O-])=S YMDB01781 [2,0,0,0,0,0|0,1,1]=4 20 B5R0.1 CCOC(C)=O YMDB00569 [2,0,0,0,0,0|1,0,0]=3 21 B5R0.1 NCCC(=O)O YMDB00195 [2,0,0,0,0,0|1,0,0]=3 22 B5R0.2 CCCCCO YMDB01470 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.2 CSCCC=O YMDB01466 [2,0,0,0,0,0|0,0,0]=2 24 B5R0.2 CSCCCO YMDB01427 [2,0,0,0,0,0|0,0,1]=3 25 B5R0.2 NCCCC=O YMDB00587 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.5 C=C(C)C(=O)OCC YMDB01685 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.5 CCCC(=O)C(C)=O YMDB01708 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.5 CCOC(=O)C(C)O YMDB01429 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.7 CCCC(=O)OCC YMDB01385 [1,1,0,0,0,0|0,0,0]=2 30 B7R0.10 CCC(=O)C(O)CC YMDB00804 [1,1,0,0,0,0|1,0,0]=3 31 B7R0.12 C\C=C(/C=O)CSC YMDB01485 [1,1,0,0,0,0|1,0,0]=3 32 B7R0.4 CC(=O)NCCC=O YMDB00315 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.4 CCCCCC(=O)O YMDB01424 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.4 CCCCCC(C)=O YMDB01337 [1,1,0,0,0,0|1,0,0]=3 35 B7R0.6 CC(=O)OCC(C)C YMDB00572 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.6 CC(=O)OCC(C)C YMDB01589 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.6 O=C(O)CCC(=O)O YMDB00338 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.5 CCC=CCC(=O)OCC YMDB01357 [0,2,0,0,0,0|1,0,1]=4 39 B9R0.5 CCCCCC(=O)OCC YMDB01381 [0,2,0,0,0,0|1,0,0]=3 40 B9R0.5 CCCCOC(=O)CCC YMDB01399 [0,2,0,0,0,0|2,0,0]=4 41 B9R0.5 CCC\C=C\C(=O)OCC YMDB01365 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.8 CSCCC(=O)\C(O)=C\O YMDB00185 [0,2,0,0,0,0|1,0,1]=4 43 B9R0.35 CCCC(O)C(=O)OCC YMDB01403 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.48 CCOC(=O)CCC(=O)O YMDB01402 [0,2,0,0,0,0|2,0,0]=4 45 B9R0.46 CCCCCOC(=O)CC YMDB01636 [0,2,0,0,0,0|2,0,0]=4 46 B9R0.47 C=C(C)C(=O)OCCCC YMDB01329 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.47 CCCCOC(=O)C(C)C YMDB01328 [0,2,0,0,0,0|2,0,0]=4 48 B7R1.4 CC1SCCC1=O YMDB01467 [1,0,0,1,0,0|1,0,0]=3