0  B6R1.2  C1CNC(=S)N1 113 [1,0,0,0,0,0|2,1,0]=4
1  B8R1.1  C=CC1CNC(=S)O1 696 [0,1,0,0,0,0|1,1,1]=4
2  B6R0.4  CCCOC(=O)C 762 [0,0,1,0,0,0|2,0,0]=3
3  B8R1.4  CC1CCCC(N1)C 701 [0,0,0,0,0,1|2,0,1]=4
4  B5R0.1  CC(CCO)O 719 [1,0,1,0,0,0|0,0,1]=3
5  B5R0.2  CCCOC=O 763 [1,0,1,0,0,0|0,0,0]=2
6  B5R0.3  CCC(C=C)O 776 [1,0,1,0,0,0|2,0,0]=4
7  B7R0.2  CCC(=O)OC(C)C 731 [0,1,1,0,0,0|0,0,0]=2
8  B7R0.3  CCCOC(=O)CC 761 [0,1,1,0,0,0|0,0,0]=2
9  B7R0.16  CC(C)[C@@H](C(=O)O)N 1154 [0,1,1,0,0,0|2,0,0]=4
10  B7R0.4  CCCCCC(C)O 729 [0,1,1,0,0,0|1,0,1]=4
11  B7R0.6  CC(C)COC(=O)C 721 [0,1,1,0,0,0|2,0,0]=4
12  B5R0.5  CC(C(=O)[O-])O 1258 [0,0,1,0,1,0|2,0,0]=4
13  B5R0.5  CC(C(=O)[O-])O 293 [0,0,1,0,1,0|2,0,0]=4