0  B5R0.5  CC(=O)C(F)F B016253 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  CSC(=N)N B022644 [1,0,0,0,0,0|3,0,0]=4
2  B4R0.1  OCC(F)F B019710 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.3  N#CC(N)C(N)=O B048693 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.7  CC(=O)C(C)(C)N B049721 [0,1,0,0,0,0|2,0,0]=3
5  B5R0.1  C#CCC(=O)O B050921 [1,1,0,0,0,0|0,0,1]=3
6  B5R0.1  CC(N)CCO B039558 [1,1,0,0,0,0|1,0,1]=4
7  B5R0.3  CCC(=O)NN B015434 [1,1,0,0,0,0|1,0,0]=3
8  B5R0.3  CC\C(N)=N\O B030359 [1,1,0,0,0,0|1,0,0]=3
9  B7R0.9  O=C(O)CC(F)(F)F B039718 [0,1,0,0,0,1|2,0,0]=4
10  B7R0.16  CC(C(=O)O)N(C)C B039606 [0,1,0,0,0,1|2,0,0]=4
11  B7R0.5  CCOC(=O)C(F)F B020251 [0,2,0,0,0,0|2,0,0]=4
12  B7R1.22  NNC(=O)C1CC1 B014982 [0,1,0,1,0,0|2,0,0]=4