0  B4R0.1  C(=O)C(=O)[O-] S573140 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  CC(=O)CN CDS020585 [0,0,0,0,0,0|4,0,0]=4
2  B4R0.1  CCC(=O)[O-] CDS000543 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  CNC(=O)Cl CDS009330 [0,0,0,0,0,0|3,1,0]=4
4  B4R0.1  CSC(=O)C CDS001513 [0,0,0,0,0,0|4,0,0]=4
5  B4R0.1  O=C(O)CS CDS000504 [0,0,0,0,0,0|2,1,1]=4
6  B4R0.1  O=C([O-])CO CDS000626 [0,0,0,0,0,0|2,0,2]=4
7  B4R0.1  O=S(O)O[TlH2] S826111 [0,0,0,0,0,0|3,0,1]=4
8  B3R0.2  BC(=O)O R277436 [1,0,0,0,0,0|2,0,1]=4
9  B3R0.2  CC(=O)O R252506 [1,0,0,0,0,0|2,0,1]=4
10  B3R0.2  CC(=O)O R252999 [1,0,0,0,0,0|2,0,1]=4
11  B3R0.2  CS(=O)[O-] S946621 [1,0,0,0,0,0|2,0,1]=4
12  B3R0.2  O=[N+]([O-])[O-] CDS001582 [1,0,0,0,0,0|0,1,2]=4
13  B5R0.4  CCS(=O)(=O)[S-] S47822 [0,1,0,0,0,0|3,0,0]=4
14  B5R0.4  CNS(=O)(=O)Cl CDS007250 [0,1,0,0,0,0|2,1,0]=4
15  B5R0.4  O=S(=O)([O-])CBr S613940 [0,1,0,0,0,0|3,0,0]=4
16  B5R0.5  O=C(O)C(=O)O S647829 [0,1,0,0,0,0|2,0,1]=4
17  B4R0.3  NS(=O)(=O)[O-] S828300 [1,1,0,0,0,0|1,0,1]=4
18  B4R0.3  O=S(=O)(O)O R278998 [1,1,0,0,0,0|1,0,1]=4
19  B4R0.3  O=S(=O)([O-])[O-] CDS004010 [1,1,0,0,0,0|1,0,1]=4
20  B4R0.3  O=S(=O)([O-])[O-] S461083 [1,1,0,0,0,0|1,0,1]=4
21  B4R0.3  O=S(=O)([O-])[O-] S461768 [1,1,0,0,0,0|1,0,1]=4
22  B4R0.3  O=[Cr](=O)([O-])[O-] CDS001277 [1,1,0,0,0,0|1,0,1]=4