0  B3R0.1  NNC=O BB12-2770 [0,0,0,0,0,0|2,1,1]=4
1  B3R0.1  N\C=N/O BB12-3512 [0,0,0,0,0,0|2,1,1]=4
2  B3R0.1  [C-]#[N+]CC BB56-1802 [0,0,0,0,0,0|2,0,0]=2
3  B4R0.1  C\C(N)=N\O BB53-1937 [0,1,0,0,0,0|1,1,1]=4
4  B4R0.2  CSCCCl BB53-1396 [0,1,0,0,0,0|1,0,0]=2
5  B4R0.2  CSCCN BB12-0970 [0,1,0,0,0,0|1,0,0]=2
6  B3R0.2  CS(=O)[O-] BB12-1172 [1,1,0,0,0,0|1,1,0]=4
7  B5R0.1  CCOC(C)=N BB12-3674 [0,2,0,0,0,0|1,0,1]=4
8  B5R0.1  CNCC(C)=O BB12-3010 [0,2,0,0,0,0|0,1,1]=4
9  B5R0.1  CNCC(C)O BB12-1288 [0,2,0,0,0,0|0,1,0]=3
10  B5R0.3  CCC(C)NC BB53-1672 [0,2,0,0,0,0|1,0,0]=3
11  B5R0.3  CC\C(N)=N\O BB12-3467 [0,2,0,0,0,0|0,1,1]=4
12  B5R0.3  CNC(C)CO BB12-1570 [0,2,0,0,0,0|0,1,0]=3
13  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [0,2,0,0,0,0|1,0,0]=3
14  B5R0.4  CC(C)(N)CO BB17-0635 [0,2,0,0,0,0|0,1,0]=3
15  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,2,0,0,0,0|0,1,1]=4
16  B5R0.2  CCSCCN BB53-1545 [0,2,0,0,0,0|1,0,0]=3
17  B5R0.2  CSCCC#N BB12-3714 [0,2,0,0,0,0|0,0,1]=3
18  B5R0.2  [C-]#[N+]CCCC BB56-0718 [0,2,0,0,0,0|1,0,0]=3
19  B5R0.2  [C-]#[N+]CCOC BB56-1837 [0,2,0,0,0,0|1,0,0]=3
20  B5R1.2  O=C1CNC1 BB20-3400 [0,1,0,1,0,0|0,1,1]=4