0  B6R0.5  C(CS(=O)(=O)O)N S2008 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.5  C(CS(=O)(=O)[O-])O S6190 [0,0,0,0,0,0|0,1,1]=2
2  B6R0.5  C(CS(=O)(=O)[O-])S S1735 [0,0,0,0,0,0|0,0,1]=1
3  B6R0.5  C(CS(=O)(=O)[O-])S S1735 [0,0,0,0,0,0|0,0,1]=1
4  B5R0.1  C(C(=O)O)ON S4989 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.1  C(CN)C(=O)O S5526 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.1  CCCC(=O)[O-] S1999 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.1  CCCC(=O)[O-] S1999 [1,0,0,0,0,0|2,0,1]=4
8  B5R0.1  CNCC(=O)O S4702 [1,0,0,0,0,0|3,0,0]=4
9  B5R0.1  CNCC(=O)O S4702 [1,0,0,0,0,0|3,0,0]=4
10  B7R0.8  C(CN)CS(=O)(=O)O S5131 [0,1,0,0,0,0|1,0,0]=2
11  B7R0.8  C(COP(=O)(O)O)N S6483 [0,1,0,0,0,0|2,0,1]=4
12  B7R0.8  CS(=O)(=O)CCC#N S8907 [0,1,0,0,0,0|2,0,0]=3
13  B7R0.8  CS(=O)(=O)CCC#N S8907 [0,1,0,0,0,0|2,0,0]=3
14  B4R0.1  C(C(=O)O)N S4821 [2,0,0,0,0,0|2,0,0]=4
15  B4R0.1  C(C(=O)O)O S1826 [2,0,0,0,0,0|1,1,0]=4
16  B4R0.1  C(C(=O)O)O S1826 [2,0,0,0,0,0|1,1,0]=4
17  B4R0.1  C(C(=O)O)O S1826 [2,0,0,0,0,0|1,1,0]=4
18  B4R0.1  C(C(=O)O)O S6272 [2,0,0,0,0,0|1,1,0]=4
19  B4R0.1  C(C(=O)O)[NH-] S7448 [2,0,0,0,0,0|2,0,0]=4
20  B4R0.1  C(C(=O)O)[NH-] S7448 [2,0,0,0,0,0|2,0,0]=4
21  B4R0.3  NS(=O)(=O)N S5606 [2,0,0,0,0,0|2,0,0]=4
22  B6R0.1  COC(=O)CCN S6219 [1,1,0,0,0,0|2,0,0]=4
23  B6R0.2  CC(C)CC(=O)O S6287 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.2  CC(CC(=O)O)O S1031 [1,1,0,0,0,0|1,1,0]=4
25  B6R0.3  C(C(C(=O)O)N)O S5545 [1,1,0,0,0,0|1,1,0]=4
26  B6R0.3  C(C(C(=O)O)N)O S6224 [1,1,0,0,0,0|1,1,0]=4
27  B6R0.3  C(C(C(=O)O)N)O S9353 [1,1,0,0,0,0|1,1,0]=4
28  B6R0.3  C(C(C(=O)O)N)S S4815 [1,1,0,0,0,0|1,0,0]=3
29  B6R0.3  C(C(C(=O)O)N)S S5635 [1,1,0,0,0,0|1,0,0]=3
30  B6R0.3  CC(CN)C(=O)O S6134 [1,1,0,0,0,0|2,0,0]=4
31  B6R0.3  CCC(C(=O)O)N S6203 [1,1,0,0,0,0|2,0,0]=4
32  B6R0.3  CCC(C(=O)O)N S6330 [1,1,0,0,0,0|2,0,0]=4
33  B6R0.3  CCC(C(=O)O)O S6119 [1,1,0,0,0,0|2,0,0]=4
34  B6R0.4  C(CC(=O)O)CN S4700 [1,1,0,0,0,0|2,0,0]=4
35  B6R0.4  C(CC(=O)O)CN S4700 [1,1,0,0,0,0|2,0,0]=4
36  B6R0.4  C=CCCC(=O)O S6268 [1,1,0,0,0,0|2,0,0]=4
37  B6R0.4  CSCCC(=O)O S6341 [1,1,0,0,0,0|1,0,0]=3