0  B7R0.6  C(=CC(=O)O)C(=O)O S4952 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.6  C(=CC(=O)O)C(=O)O S5340 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.6  C(=CC(=O)[O-])C(=O)[O-] S6406 [0,0,0,0,0,0|4,0,0]=4
3  B7R0.6  C(CC(=O)O)C(=O)O S3791 [0,0,0,0,0,0|4,0,0]=4
4  B7R0.6  C(CC(=O)[O-])C(=O)[O-] S5433 [0,0,0,0,0,0|4,0,0]=4
5  B7R0.6  CC(=O)CCC(=O)O S6207 [0,0,0,0,0,0|4,0,0]=4
6  B8R0.9  C(C(=O)NCC(=O)O)N S4810 [0,1,0,0,0,0|2,0,1]=4
7  B8R0.9  C(CC(=O)O)C(=O)CN S2553 [0,1,0,0,0,0|3,0,0]=4
8  B8R0.9  C(CC(=O)O)C(=O)CN S2553 [0,1,0,0,0,0|3,0,0]=4
9  B8R0.9  C(CC(=O)O)C(=O)CN S2553 [0,1,0,0,0,0|3,0,0]=4
10  B8R0.9  C(CC(=O)O)C(=O)CN S2553 [0,1,0,0,0,0|3,0,0]=4
11  B8R0.23  C(C(C(=O)O)N)C(=O)N S4950 [0,1,0,0,0,0|3,0,0]=4
12  B8R0.23  C(C(C(=O)O)N)C(=O)N S5571 [0,1,0,0,0,0|3,0,0]=4
13  B8R0.28  C(CNC(=O)N)C(=O)O S6143 [0,0,0,0,0,1|2,0,1]=4
14  B8R0.28  C(CNC(=O)N)C(=O)O S6143 [0,0,0,0,0,1|2,0,1]=4
15  B9R1.69  C1=NC(=O)NC(=C1Br)N S5603 [0,1,0,1,0,0|2,0,0]=4
16  B9R1.69  C1=NC(=O)NC(=C1Br)N S5603 [0,1,0,1,0,0|2,0,0]=4
17  B9R1.69  C1=NC(=O)NC(=C1F)N S1666 [0,1,0,1,0,0|2,0,0]=4
18  B9R1.69  C1=NC(=O)NC(=C1F)N S1666 [0,1,0,1,0,0|2,0,0]=4
19  B9R1.69  C1=NC(=O)NC(=C1F)N S1666 [0,1,0,1,0,0|2,0,0]=4
20  B9R1.69  C1=NC(=O)NC(=C1F)N S1666 [0,1,0,1,0,0|2,0,0]=4
21  B9R1.69  CC1=C(NC(=O)N=C1)N S6021 [0,1,0,1,0,0|2,0,0]=4
22  B5R0.5  C(=O)(C(=O)O)O S9354 [0,0,0,0,2,0|2,0,0]=4
23  B5R0.5  C(=O)(C(=O)[O-])N S6871 [0,0,0,0,2,0|1,0,0]=3
24  B5R0.5  C(=O)(C(=O)[O-])N S6871 [0,0,0,0,2,0|1,0,0]=3