0  B5R0.1  CC(CCO)O 719 [1,0,0,0,0,0|2,0,1]=4
1  B5R0.1  CCNC(=S)N 112 [1,0,0,0,0,0|2,1,0]=4
2  B5R0.3  CCC(C=C)O 776 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.5  CC(C(=O)[O-])O 1258 [1,0,0,0,0,0|1,0,1]=3
4  B5R0.5  CC(C(=O)[O-])O 293 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.16  CC(C)[C@@H](C(=O)O)N 1154 [0,1,0,0,0,0|1,0,0]=2
6  B4R0.1  CC(=O)OC 753 [2,0,0,0,0,0|1,0,1]=4
7  B4R0.1  CN(C)C=S 110 [2,0,0,0,0,0|1,1,0]=4
8  B4R0.2  CCOC=O 720 [2,0,0,0,0,0|1,0,0]=3
9  B6R0.4  CCCOC(=O)C 762 [1,1,0,0,0,0|1,0,0]=3
10  B6R0.5  C(CS(=O)(=O)O)N 747 [1,1,0,0,0,0|2,0,0]=4
11  B8R0.2  CC[C@H](C)[C@@H](C(=O)O)N 269 [0,1,0,0,0,1|0,0,0]=2
12  B8R0.8  CCCCC(C(=O)O)N 351 [0,2,0,0,0,0|1,0,0]=3
13  B8R0.36  CCC(CC)(C(=O)N)Br 584 [0,2,0,0,0,0|1,0,0]=3