0  B4R0.1  C#CC(=O)O S6108 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  C(=O)(N)NO S1896 [0,0,0,0,0,0|2,1,1]=4
2  B4R0.1  C(=O)(N)NO S1896 [0,0,0,0,0,0|2,1,1]=4
3  B4R0.1  C(=O)(N)NO S1896 [0,0,0,0,0,0|2,1,1]=4
4  B4R0.1  C(=O)(N)NO S1896 [0,0,0,0,0,0|2,1,1]=4
5  B4R0.1  C(C(=O)O)N S4821 [0,0,0,0,0,0|3,0,1]=4
6  B4R0.1  C(C(=O)O)O S1826 [0,0,0,0,0,0|2,0,2]=4
7  B4R0.1  C(C(=O)O)O S1826 [0,0,0,0,0,0|2,0,2]=4
8  B4R0.1  C(C(=O)O)O S1826 [0,0,0,0,0,0|2,0,2]=4
9  B4R0.1  C(C(=O)O)O S6272 [0,0,0,0,0,0|2,0,2]=4
10  B4R0.1  C(C(=O)O)[NH-] S7448 [0,0,0,0,0,0|3,0,1]=4
11  B4R0.1  C(C(=O)O)[NH-] S7448 [0,0,0,0,0,0|3,0,1]=4
12  B4R0.1  C(C(=O)[O-])N S6436 [0,0,0,0,0,0|3,0,1]=4
13  B4R0.1  C(C(=O)[O-])N S6449 [0,0,0,0,0,0|3,0,1]=4
14  B4R0.1  C=CC(=O)N S6227 [0,0,0,0,0,0|4,0,0]=4
15  B4R0.1  CC(=O)NO S4602 [0,0,0,0,0,0|2,1,1]=4
16  B4R0.1  CC(=O)NO S4602 [0,0,0,0,0,0|2,1,1]=4
17  B4R0.1  CN(C)C=O S6192 [0,0,0,0,0,0|3,1,0]=4
18  B3R0.2  C(=O)(N)N S3687 [1,0,0,0,0,0|2,1,0]=4
19  B3R0.2  C(=O)([O-])[O-] S4828 [1,0,0,0,0,0|1,0,2]=4
20  B3R0.2  C(=O)([O-])[O-] S4933 [1,0,0,0,0,0|1,0,2]=4
21  B3R0.2  C(=O)([O-])[O-] S4933 [1,0,0,0,0,0|1,0,2]=4
22  B3R0.2  CC(=O)N S6011 [1,0,0,0,0,0|2,1,0]=4
23  B3R0.2  CC(=O)[O-] S4843 [1,0,0,0,0,0|2,0,1]=4
24  B5R0.5  C(=O)(C(=O)O)O S9354 [0,1,0,0,0,0|2,0,1]=4
25  B5R0.5  C(=O)(C(=O)[O-])N S6871 [0,1,0,0,0,0|2,0,1]=4
26  B5R0.5  C(=O)(C(=O)[O-])N S6871 [0,1,0,0,0,0|2,0,1]=4
27  B2R0.1  C(=O)[O-] S6262 [2,0,0,0,0,0|1,0,1]=4
28  B2R0.1  O=[Si]=O S1900 [2,0,0,0,0,0|1,0,0]=3
29  B4R0.3  NS(=O)(=O)N S5606 [1,1,0,0,0,0|1,1,0]=4