0  B4R0.1  C=C[C@H](C)N N11431 [0,1,0,0,0,0|2,0,1]=4
1  B4R0.1  C[C@H](N)C#N 96735 [0,1,0,0,0,0|3,0,0]=4
2  B4R0.1  C[C@H](N)CF AC1331 [0,1,0,0,0,0|3,0,0]=4
3  B4R0.2  CNCCF AC6046 [0,1,0,0,0,0|2,0,0]=3
4  B5R0.5  CC(N)C(C)O Y13729 [0,2,0,0,0,0|2,0,0]=4
5  B5R0.5  C[C@H](N)[C@H](C)O F16993 [0,2,0,0,0,0|2,0,0]=4
6  B5R0.2  CSCCCCl Y14621 [0,2,0,0,0,0|1,0,0]=3
7  B5R0.2  NC\C=C/CN C13830 [0,2,0,0,0,0|2,0,0]=4