0 B5R0.2 CCCCCO YMDB01470 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 CCSSCC YMDB01671 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.2 CSCCCO YMDB01427 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.2 CSSSSC YMDB01465 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.2 NCCCCN YMDB00132 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.2 C=COCC YMDB01335 [1,0,0,0,0,0|0,1,2]=4 6 B4R0.2 CCCCO YMDB01386 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.2 CCOC=O YMDB01684 [1,0,0,0,0,0|1,1,1]=4 8 B4R0.2 CCSCC YMDB01672 [1,0,0,0,0,0|0,0,0]=1 9 B4R0.2 CSCCO YMDB01590 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.2 CSCSC YMDB01436 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.2 CSSSC YMDB01438 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.2 NCCCN YMDB00042 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.2 OCCCO YMDB02312 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCC(C)CCO YMDB01428 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.1 CCCC(=O)OC YMDB01743 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 CCOC(=O)CC YMDB01331 [0,1,0,0,0,0|1,1,0]=3 17 B6R0.4 CC(C)CCCO YMDB01348 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.4 CCCCC(C)O YMDB01793 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.4 CCCOC(C)=O YMDB01390 [0,1,0,0,0,0|1,1,1]=4 20 B6R0.6 CCCCCC=O YMDB01759 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.6 CCCCCCO YMDB01473 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.6 CCC\C=C\CO YMDB01676 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.6 CCOCCCO YMDB01423 [0,1,0,0,0,0|1,1,0]=3 24 B6R0.6 CC\C=C/CCO YMDB01420 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.6 CC\C=C\CCO YMDB01421 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.6 NCCCCCN YMDB02303 [0,1,0,0,0,0|3,0,0]=4 27 B6R1.1 C1CCNCC1 YMDB01338 [0,0,0,1,0,0|2,0,0]=3 28 B3R0.1 CCC=O YMDB00911 [2,0,0,0,0,0|1,0,1]=4 29 B3R0.1 CCCO YMDB01395 [2,0,0,0,0,0|1,0,0]=3 30 B3R0.1 NCCO YMDB00009 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.1 OCCO YMDB01564 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 CC(C)CCO YMDB00570 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.1 CCOC(C)=O YMDB00569 [1,1,0,0,0,0|0,1,1]=4 34 B5R0.3 CCC(C)CO YMDB00567 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.3 CCC(O)CO YMDB02307 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.3 CCC(=O)CCSC YMDB01450 [0,2,0,0,0,0|2,0,0]=4 37 B7R0.5 CCOC(=O)C(C)O YMDB01429 [0,2,0,0,0,0|1,1,0]=4 38 B7R0.7 CCCC(=O)OCC YMDB01385 [0,2,0,0,0,0|1,1,0]=4 39 B7R0.7 CCCC(S)CCO YMDB01417 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.7 CCOC(C)OCC YMDB01369 [0,2,0,0,0,0|0,2,0]=4 41 B7R0.10 CCC(=O)C(O)CC YMDB00804 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.4 CC(C)CCCCO YMDB01409 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.4 CCCCCC(C)=O YMDB01337 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.4 CCCCCC(C)O YMDB01343 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.1 CCCCCCC=O YMDB01704 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.1 CCCCCCCO YMDB01475 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.1 OCCCCCCO YMDB01709 [0,2,0,0,0,0|2,0,0]=4 48 B5R1.1 C1CSCN1 YMDB01400 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.1 OCC1CCCC1 YMDB01361 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.2 C[C@@H]1SS[C@H](C)S1 YMDB01456 [0,1,0,1,0,0|0,0,0]=2 51 B7R1.3 CC1SCCSS1 YMDB01497 [0,1,0,1,0,0|0,0,0]=2 52 B7R1.3 OC1CCCCC1 YMDB01398 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.4 CC1SCCC1=O YMDB01467 [0,1,0,1,0,0|1,0,1]=4