0  B12R1.362  C(=O)C(C1C(C(C(=O)O1)O)O)O S4894 [0,0,0,0,0,0|0,0,4]=4
1  B12R1.362  C(C(C1C(=C(C(=O)O1)O)O)O)O S3114 [0,0,0,0,0,0|0,0,0]=0
2  B12R1.362  C(C(C1C(=C(C(=O)O1)O)O)O)O S3114 [0,0,0,0,0,0|0,0,0]=0
3  B12R1.362  C(C(C1C(=C(C(=O)O1)O)[O-])O)O S4245 [0,0,0,0,0,0|0,0,1]=1
4  B12R1.362  C(C(C1C(=C(C(=O)O1)O)[O-])O)O S5133 [0,0,0,0,0,0|0,0,1]=1
5  B12R1.362  C(C(C1C(C(C(=O)O1)O)O)O)O S6182 [0,0,0,0,0,0|0,0,2]=2
6  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
7  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
8  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
9  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
10  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
11  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
12  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
13  B11R0.66  NC(C=O)C(O)C(O)C(O)CO S6400 [0,0,1,0,0,0|1,0,2]=4
14  B10R0.35  C(C=O)C(C(C(CO)O)O)O S4701 [1,0,1,0,0,0|0,0,2]=4
15  B10R0.35  C(C=O)C(C(C(CO)O)O)O S4701 [1,0,1,0,0,0|0,0,2]=4
16  B10R0.35  C(C=O)C(C(C(CO)O)O)O S4701 [1,0,1,0,0,0|0,0,2]=4
17  B10R0.56  CC(C(C(C(C=O)O)O)O)O S2317 [1,0,1,0,0,0|0,0,2]=4
18  B10R0.56  CC(C(C(C(C=O)O)O)O)O S9002 [1,0,1,0,0,0|0,0,2]=4
19  B12R0.87  C(C(C(C(C(C(=O)[O-])O)O)O)O)O S3749 [0,1,1,0,0,0|0,0,2]=4
20  B12R0.87  C(C(C(C(C(C(=O)[O-])O)O)O)O)O S4174 [0,1,1,0,0,0|0,0,2]=4
21  B12R1.14  C(C1C(C(C(C(=O)O1)O)O)O)O S4676 [0,0,1,1,0,0|0,0,2]=4