0 B6R0.6 CCCCCC=O YMDB01759 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.6 CCCCCCO YMDB01473 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.6 CCC\C=C\CO YMDB01676 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 CCOCCCO YMDB01423 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.6 CC\C=C/CCO YMDB01420 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.6 CC\C=C\CCO YMDB01421 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.6 C\C=C\C=C\CO YMDB01707 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.6 NCCCCCN YMDB02303 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CCCCCO YMDB01470 [1,0,0,0,0,0|0,0,0]=1 9 B5R0.2 CCSSCC YMDB01671 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.2 CSCCC=O YMDB01466 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.2 CSCCCO YMDB01427 [1,0,0,0,0,0|0,0,0]=1 12 B5R0.2 CSSSSC YMDB01465 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.2 NCCCC=O YMDB00587 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.2 NCCCCN YMDB00132 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.1 CCCCCCC=O YMDB01704 [0,1,0,0,0,0|1,0,1]=3 16 B7R0.1 CCCCCCCO YMDB01475 [0,1,0,0,0,0|1,0,0]=2 17 B7R0.1 OCCCCCCO YMDB01709 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.3 CCC(=O)CCSC YMDB01450 [0,1,0,0,0,0|1,0,1]=3 19 B7R0.3 COC(=O)CCSC YMDB01750 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.4 CC(C)CCCCO YMDB01409 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.4 CCCCCC(=O)O YMDB01424 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.4 CCCCCC(C)=O YMDB01337 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.4 CCCCCC(C)O YMDB01343 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.7 CCCC(S)CCO YMDB01417 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.1 OCC1CCCC1 YMDB01361 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.3 CC1SCCSS1 YMDB01497 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.3 OC1CCCCC1 YMDB01398 [0,0,0,1,0,0|1,0,0]=2 28 B4R0.2 CCCCO YMDB01386 [2,0,0,0,0,0|0,0,0]=2 29 B4R0.2 CCSCC YMDB01672 [2,0,0,0,0,0|1,0,0]=3 30 B4R0.2 CSCCO YMDB01590 [2,0,0,0,0,0|0,0,0]=2 31 B4R0.2 CSCSC YMDB01436 [2,0,0,0,0,0|1,0,0]=3 32 B4R0.2 CSSSC YMDB01438 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.2 NCCCN YMDB00042 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.2 OCCCO YMDB02312 [2,0,0,0,0,0|0,1,0]=3 35 B6R0.1 CCC(C)CCO YMDB01428 [1,1,0,0,0,0|0,0,0]=2 36 B6R0.1 CCCC(=O)OC YMDB01743 [1,1,0,0,0,0|0,1,1]=4 37 B6R0.4 CC(C)CCCO YMDB01348 [1,1,0,0,0,0|0,0,0]=2 38 B6R0.4 CCCCC(=O)O YMDB01484 [1,1,0,0,0,0|0,0,1]=3 39 B6R0.4 CCCCC(C)O YMDB01793 [1,1,0,0,0,0|0,0,0]=2 40 B6R0.4 CCCOC(C)=O YMDB01390 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.4 NCCCC(=O)O YMDB00335 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.1 CCOC(=O)CCCO YMDB01419 [0,2,0,0,0,0|0,1,1]=4 43 B8R0.4 CCCCCCCC=O YMDB00824 [0,2,0,0,0,0|1,0,1]=4 44 B8R0.4 CCCCCCCCO YMDB00808 [0,2,0,0,0,0|1,0,0]=3 45 B8R0.6 C=CC(O)CCCCC YMDB01352 [0,2,0,0,0,0|1,0,0]=3 46 B8R0.6 CCCCCC(=O)OC YMDB01333 [0,2,0,0,0,0|1,0,1]=4 47 B8R0.7 CC(=O)NCCCCN YMDB00738 [0,2,0,0,0,0|2,0,0]=4 48 B8R0.7 CC(C)CCCCCO YMDB01717 [0,2,0,0,0,0|1,0,0]=3 49 B8R0.7 CCCCCCC(=O)O YMDB01705 [0,2,0,0,0,0|1,0,0]=3 50 B8R0.7 CCCCCOC(C)=O YMDB01471 [0,2,0,0,0,0|1,1,0]=4 51 B8R0.3 C(C=O)[C@H](O)[C@H](O)CO YMDB00661 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.8 CCCC[C@H](N)C(=O)O YMDB01001 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.8 CSCCC(=O)C(=O)O YMDB00421 [0,2,0,0,0,0|0,0,2]=4 54 B8R0.8 CSCC[C@@H](N)C(=O)O YMDB00816 [0,2,0,0,0,0|0,0,1]=3 55 B8R0.8 CSCC[C@H](N)C(=O)O YMDB00318 [0,2,0,0,0,0|0,0,1]=3 56 B8R0.11 CCCCC(CC)CO YMDB01330 [0,2,0,0,0,0|1,0,0]=3 57 B6R1.1 C1CCNCC1 YMDB01338 [1,0,0,1,0,0|1,0,0]=3 58 B6R1.2 O=C1CCCO1 YMDB01418 [1,0,0,1,0,0|0,1,1]=4 59 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [0,1,0,1,0,0|1,0,1]=4