0 B12R1.14 C(C1C(C(C(C(=O)O1)O)O)O)O S4676 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.14 C(C1C(C(C(C(O1)O)N)O)O)O S3694 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.14 C(C1C(C(C(C(O1)O)O)O)O)O S3849 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.14 C(C1C(C(C(C(O1)O)O)O)O)O S6028 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.14 OCC1OC(O)C(O)C(O)C1O S5763 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.32 CC1C(C(C(C(O1)O)O)O)O S3887 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.278 C1C(C(C(C(N1)CO)O)O)O S3839 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.278 C1C(C(C(C(N1)CO)O)O)O S3839 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.425 COC1C(C(C(C(O1)CO)O)O)O S5047 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.3251 COC1C(C(C(C(C1O)O)O)O)O S3870 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.3251 COC1C(C(C(C(C1O)O)O)O)O S9343 [0,1,0,0,0,0|3,0,0]=4 11 B11R0.66 C(C(C(C(C(=O)CO)O)O)O)O S5176 [0,0,1,0,0,0|0,0,2]=3 12 B11R0.66 C(C(C(C(C(=O)CO)O)O)O)O S5338 [0,0,1,0,0,0|0,0,2]=3 13 B11R0.66 C(C(C(C(C(=O)CO)O)O)O)O S5387 [0,0,1,0,0,0|0,0,2]=3 14 B11R0.66 C(C(C(C(C(C=O)N)O)O)O)O S3850 [0,0,1,0,0,0|1,0,2]=4 15 B11R0.66 C(C(C(C(C(C=O)O)O)O)O)O S2123 [0,0,1,0,0,0|0,0,2]=3 16 B11R0.66 C(C(C(C(C(C=O)O)O)O)O)O S2123 [0,0,1,0,0,0|0,0,2]=3 17 B11R0.66 C(C(C(C(C(C=O)O)O)O)O)O S2123 [0,0,1,0,0,0|0,0,2]=3 18 B11R0.66 C(C(C(C(C(C=O)O)O)O)O)O S6180 [0,0,1,0,0,0|0,0,2]=3 19 B11R0.66 C(C(C(C(C(C=O)O)O)O)O)O S6180 [0,0,1,0,0,0|0,0,2]=3 20 B11R0.66 C(C(C(C(C(C=O)O)O)O)O)O S6703 [0,0,1,0,0,0|0,0,2]=3 21 B11R0.66 C(C(C(C(C(CO)O)O)O)O)O S2381 [0,0,1,0,0,0|0,0,0]=1 22 B11R0.66 C(C(C(C(C(CO)O)O)O)O)O S2381 [0,0,1,0,0,0|0,0,0]=1 23 B11R0.66 C(C(C(C(C(CO)O)O)O)O)O S2381 [0,0,1,0,0,0|0,0,0]=1 24 B11R0.66 C(C(C(C(C(CO)O)O)O)O)O S2393 [0,0,1,0,0,0|0,0,0]=1 25 B11R0.66 C(C(C(C(C(CO)O)O)O)O)O S2393 [0,0,1,0,0,0|0,0,0]=1 26 B11R0.66 C(C(C(C(C(CO)O)O)O)O)O S3864 [0,0,1,0,0,0|0,0,0]=1 27 B11R0.66 C(C(C(C(C(CO)O)O)O)O)O S9347 [0,0,1,0,0,0|0,0,0]=1 28 B11R0.66 NC(C=O)C(O)C(O)C(O)CO S6400 [0,0,1,0,0,0|1,0,2]=4 29 B10R0.35 C(C=O)C(C(C(CO)O)O)O S4701 [1,0,1,0,0,0|0,0,2]=4 30 B10R0.35 C(C=O)C(C(C(CO)O)O)O S4701 [1,0,1,0,0,0|0,0,2]=4 31 B10R0.35 C(C=O)C(C(C(CO)O)O)O S4701 [1,0,1,0,0,0|0,0,2]=4 32 B10R0.56 CC(C(C(C(C=O)O)O)O)O S2317 [1,0,1,0,0,0|0,0,2]=4 33 B10R0.56 CC(C(C(C(C=O)O)O)O)O S9002 [1,0,1,0,0,0|0,0,2]=4 34 B10R1.119 C1C(C(C(C(O1)O)O)O)O S3986 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.119 C1C(C(C(C(O1)O)O)O)O S5134 [2,0,0,0,0,0|0,0,0]=2 36 B12R0.196 CNCC(C(C(C(CO)O)O)O)O S1974 [0,1,1,0,0,0|2,0,0]=4 37 B12R0.196 CNCC(C(C(C(CO)O)O)O)O S1974 [0,1,1,0,0,0|2,0,0]=4 38 B12R1.3795 C1(C(C(C(C(C1O)O)O)O)O)O S4530 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.3795 C1(C(C(C(C(C1O)O)O)O)O)O S4530 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.3795 C1(C(C(C(C(C1O)O)O)O)O)O S6176 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.3795 C1(C(C(C(C(C1O)O)O)O)O)O S6176 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.5393 C1C(C(C(C(N1CCO)CO)O)O)O S2589 [0,2,0,0,0,0|2,0,0]=4 43 B14R1.5393 C1C(C(C(C(N1CCO)CO)O)O)O S2589 [0,2,0,0,0,0|2,0,0]=4 44 B14R1.5393 C1C(C(C(C(N1CCO)CO)O)O)O S2589 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.362 C(C(C1C(C(C(=O)O1)O)O)O)O S6182 [0,0,1,1,0,0|0,0,2]=4