0  B6R0.4  C(CC(=O)O)CN 0344 [0,1,0,0,0,0|2,0,0]=3
1  B3R0.1  C(C[O-])[O-] 2446 [2,0,0,0,0,0|1,1,0]=4
2  B5R0.1  C(CN)C(=O)O 0206 [1,1,0,0,0,0|0,1,1]=4
3  B5R0.1  C(CS(=O)O)N 0208 [1,1,0,0,0,0|1,0,1]=4
4  B5R0.1  CCCC(=O)[O-] 3850 [1,1,0,0,0,0|1,0,1]=4
5  B5R0.1  CCSC(=N)N 0873 [1,1,0,0,0,0|1,0,1]=4
6  B5R0.3  C(C(CO)O)O 5220 [1,1,0,0,0,0|1,1,0]=4
7  B7R0.8  C(CN)CS(=O)(=O)O 3619 [0,2,0,0,0,0|1,0,1]=4
8  B7R0.8  CP(=O)(CCCN)O 0379 [0,2,0,0,0,0|1,0,0]=3
9  B7R0.1  C(CN)CNCCS 3356 [0,2,0,0,0,0|1,0,0]=3
10  B7R0.1  C(CSSCCN)N 4981 [0,2,0,0,0,0|1,0,0]=3
11  B7R1.3  C1CCNC(=N)C1 0951 [0,1,0,1,0,0|1,0,1]=4