0 B12R0.5 C#CCCCCCCCCCCN DY520719 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.5 CCCCCCCOCCCC=O DY584466 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.5 CCC\C=C\CCCCCCCO DY822246 [0,0,0,0,0,0|0,0,2]=2 3 B12R0.5 NCCOCCOCCOCCO NO20595 [0,0,0,0,0,0|4,0,0]=4 4 B12R0.5 OCCCCCCCCCCCBr DY10312 [0,0,0,0,0,0|1,0,0]=1 5 B12R0.5 OCCCCCCCCCCCO NO15877 [0,0,0,0,0,0|1,0,0]=1 6 B12R0.5 OCCOCCOCCOCCI DY519909 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.3 CCCCCCCCCCCI DY740761 [1,0,0,0,0,0|1,0,0]=2 8 B11R0.3 CCCCCCCC\C=C\CO DY740917 [1,0,0,0,0,0|0,0,2]=3 9 B11R0.3 FCCCCCCCCCCF DY822304 [1,0,0,0,0,0|2,0,0]=3 10 B11R0.3 OCCCCCCCCCCF DY822297 [1,0,0,0,0,0|1,0,0]=2 11 B13R0.2 CCCCCCCCCC(=O)OCC DY460560 [0,1,0,0,0,0|2,0,1]=4 12 B13R0.54 CCCCCCCCCCCC(=O)[O-] DY822631 [0,1,0,0,0,0|0,0,2]=3 13 B13R0.54 CCCCCCCCCCCC(=O)[O-] DY822967 [0,1,0,0,0,0|0,0,2]=3 14 B13R0.54 CCCCCCCCCCCC(C)=O DY562239 [0,1,0,0,0,0|0,0,2]=3 15 B13R0.54 CCCCCCCCCCNC(N)=S DY793479 [0,1,0,0,0,0|1,1,1]=4 16 B13R0.54 CCCCCCCCCCOC(=O)Cl DY461286 [0,1,0,0,0,0|1,0,2]=4 17 B13R0.147 CCC(I)CCCCCCCCCI DY792015 [0,1,0,0,0,0|1,0,0]=2 18 B13R0.165 CCCCCCC(=O)CCCCCC DY822782 [0,1,0,0,0,0|1,0,1]=3 19 B13R0.336 BrCCCCCCCCCCCCBr DY549297 [0,1,0,0,0,0|1,0,0]=2 20 B13R0.336 CNCCOCCOCCOCCO DY739781 [0,1,0,0,0,0|3,0,0]=4 21 B13R0.336 COCCOCCOCCOCCO NO21327 [0,1,0,0,0,0|3,0,0]=4 22 B13R0.336 NCCCCCCCCCCCCN DY546015 [0,1,0,0,0,0|1,0,0]=2 23 B13R0.336 NCCCNCCCCNCCCN DY568389 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.28 CCCCCCCC1CCCCC1 DY756937 [0,0,0,1,0,0|1,0,0]=2 25 B13R1.28 OCCOCCOC1CCCCO1 DY540825 [0,0,0,1,0,0|3,0,0]=4 26 B13R1.654 CCCCCCCN1CCCC1=O DY797601 [0,0,0,1,0,0|1,0,2]=4 27 B13R1.1887 NCCCCCC1CCCCCN1 DY743635 [0,0,0,1,0,0|2,0,0]=3 28 B10R0.71 BrCCCCCCCCCBr NO20559 [2,0,0,0,0,0|2,0,0]=4 29 B10R0.71 CCCCCCCCCCBr DY822469 [2,0,0,0,0,0|1,0,0]=3 30 B10R0.71 ClCCCCCCCCCCl NO20560 [2,0,0,0,0,0|2,0,0]=4 31 B10R0.71 OCCCCCCCCCF DY822296 [2,0,0,0,0,0|1,0,0]=3 32 B10R0.71 OCCCCNCCCCO DY572229 [2,0,0,0,0,0|2,0,0]=4 33 B12R0.248 CCCCCCCCCC(=O)OC DY506166 [1,1,0,0,0,0|1,0,1]=4 34 B14R0.391 CCCCCCCCCC(O)CC(=O)O DY535191 [0,2,0,0,0,0|0,0,1]=3 35 B14R0.394 CCCCCCCCCC\C=C\C(=O)O DY428035 [0,2,0,0,0,0|0,0,2]=4 36 B14R0.392 CCCCCCCCCCCCCCN DY584374 [0,2,0,0,0,0|1,0,0]=3 37 B14R0.392 CCCCCCCCCCCCC[NH2+]C DY822786 [0,2,0,0,0,0|1,0,0]=3 38 B12R1.8 BrCCCCCN1CCCCC1 DY775444 [1,0,0,1,0,0|2,0,0]=4 39 B12R1.8 OCCCCCN1CCCCC1 DY638980 [1,0,0,1,0,0|1,0,0]=3 40 B12R1.267 CN1CCCCC1CNCCO DY634548 [1,0,0,1,0,0|2,0,0]=4 41 B12R1.1414 CNCCCN1CCCCCC1 DY602518 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.6 B(C1CCCCC1)C2CCCCC2 DY822619 [0,0,0,2,0,0|2,0,0]=4 43 B14R2.6 C1CCC(CC2CCCCN2)CC1 DY557835 [0,0,0,2,0,0|1,0,0]=3 44 B14R2.6 C1CCC(NC2CCCCC2)CC1 DY756907 [0,0,0,2,0,0|2,0,0]=4 45 B14R2.6 C1CCC(NC2CCCCC2)CC1 NO17597 [0,0,0,2,0,0|2,0,0]=4 46 B14R2.14 OCC1CCCN1C2CCNCC2 DY524265 [0,0,0,2,0,0|2,0,0]=4 47 B14R2.101 C1CCC(CCN2CCCC2)NC1 DY602773 [0,0,0,2,0,0|2,0,0]=4 48 B14R2.1253 C1CCC(C2CCCCCN2)CC1 DY685373 [0,0,0,2,0,0|1,0,0]=3