0 B7R0.7 CCCC(=O)OCC YMDB01385 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.7 CCCC(S)CCO YMDB01417 [0,0,0,0,0,0|1,1,1]=3 2 B7R0.7 CCOC(C)OCC YMDB01369 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCC(C)CCO YMDB01428 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 CCCC(=O)OC YMDB01743 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.1 CCOC(=O)CC YMDB01331 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.6 CCCCCC=O YMDB01759 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.6 CCCCCCO YMDB01473 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.6 CCC\C=C/C=O YMDB01655 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.6 CCC\C=C\CO YMDB01676 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.6 CCOCCCO YMDB01423 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 CC\C=C/CCO YMDB01420 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.6 CC\C=C\CCO YMDB01421 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.6 NCCCCCN YMDB02303 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.1 CCCCC(=O)OCC YMDB01342 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.1 CCCOC(=O)CCC YMDB01397 [0,1,0,0,0,0|0,0,0]=1 16 B8R0.1 CCOC(=O)CCCO YMDB01419 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.3 CCOC(=O)C(C)CC YMDB01353 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.5 CCOC(=O)CC(C)C YMDB01334 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.5 CCOC(=O)CC(C)O YMDB01425 [0,1,0,0,0,0|1,0,0]=2 20 B5R0.1 CCCC(=O)O YMDB01392 [2,0,0,0,0,0|1,0,0]=3 21 B5R0.1 CCCC([O-])=S YMDB01781 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 CCOC(C)=O YMDB00569 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.1 NCCC(=O)O YMDB00195 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.2 CCCCCO YMDB01470 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.2 CCSSCC YMDB01671 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.2 CSCCCO YMDB01427 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.2 NCCCCN YMDB00132 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.3 O=C(CO)CO YMDB00018 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.3 CCC(=O)CCSC YMDB01450 [1,1,0,0,0,0|0,0,0]=2 30 B7R0.3 COC(=O)CCSC YMDB01750 [1,1,0,0,0,0|1,0,0]=3 31 B7R0.5 C=C(C)C(=O)OCC YMDB01685 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.5 CCCC(=O)C(C)=O YMDB01708 [1,1,0,0,0,0|0,0,1]=3 33 B7R0.5 CCOC(=O)C(C)O YMDB01429 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.10 CCC(=O)C(O)CC YMDB00804 [1,1,0,0,0,0|0,0,0]=2 35 B7R0.12 C\C=C(/C=O)CSC YMDB01485 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.1 CCCCCCC=O YMDB01704 [1,1,0,0,0,0|0,0,2]=4 37 B7R0.1 CCCCCCCO YMDB01475 [1,1,0,0,0,0|0,0,1]=3 38 B7R0.1 OCCCCCCO YMDB01709 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.4 CC(C)CCCCO YMDB01409 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.4 CCCCCC(C)=O YMDB01337 [1,1,0,0,0,0|0,0,2]=4 41 B7R0.4 CCCCCC(C)O YMDB01343 [1,1,0,0,0,0|0,0,1]=3 42 B9R0.5 CCC=CCC(=O)OCC YMDB01357 [0,2,0,0,0,0|1,0,0]=3 43 B9R0.5 CCCCCC(=O)OCC YMDB01381 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.5 CCCCOC(=O)CCC YMDB01399 [0,2,0,0,0,0|0,0,0]=2 45 B9R0.5 CCC\C=C\C(=O)OCC YMDB01365 [0,2,0,0,0,0|1,0,0]=3 46 B9R0.35 CCCC(O)C(=O)OCC YMDB01403 [0,2,0,0,0,0|1,0,0]=3 47 B9R0.48 CCOC(=O)CCC(=O)O YMDB01402 [0,2,0,0,0,0|1,0,1]=4 48 B7R1.3 OC1CCCCC1 YMDB01398 [1,0,0,1,0,0|0,0,2]=4 49 B7R1.4 CC1SCCC1=O YMDB01467 [1,0,0,1,0,0|1,0,0]=3