0  B4R0.1  CC(O)C#N ALBB-027949 [0,1,0,0,0,0|2,0,1]=4
1  B4R0.1  CCS(=O)[O-] ALBB-026504 [0,1,0,0,0,0|2,0,1]=4
2  B4R0.1  COC(=S)[S-] ALBB-016495 [0,1,0,0,0,0|0,2,0]=3
3  B4R0.1  COC(C)=N ALBB-033133 [0,1,0,0,0,0|2,0,0]=3
4  B4R0.1  NC(=O)CO ALBB-031510 [0,1,0,0,0,0|1,0,0]=2
5  B4R0.1  NC(=O)NO ALBB-028465 [0,1,0,0,0,0|1,0,0]=2
6  B4R0.1  O=[N+]([O-])CBr ALBB-025772 [0,1,0,0,0,0|2,0,1]=4
7  B4R0.3  NS(N)(=O)=O ALBB-008927 [0,1,0,0,0,0|2,0,1]=4
8  B3R0.1  CN=C=O ALBB-007556 [1,1,0,0,0,0|1,0,1]=4
9  B3R0.1  N\C=N/O ALBB-016431 [1,1,0,0,0,0|1,0,0]=3
10  B5R0.1  CCOC(C)=N ALBB-014832 [0,2,0,0,0,0|2,0,0]=4
11  B5R0.1  CNCC(C)=O ALBB-016173 [0,2,0,0,0,0|2,0,0]=4
12  B5R0.3  C#CC(=O)OC ALBB-008926 [0,2,0,0,0,0|1,0,0]=3
13  B5R0.3  CCC(=N)OC ALBB-033213 [0,2,0,0,0,0|2,0,0]=4
14  B5R0.3  CCC(=O)NN ALBB-002743 [0,2,0,0,0,0|2,0,0]=4
15  B5R0.3  CC\C(N)=N\O ALBB-012745 [0,2,0,0,0,0|2,0,0]=4
16  B5R0.3  CC\C(N)=N\O ALBB-012745 [0,2,0,0,0,0|2,0,0]=4
17  B5R0.3  CNC(=O)CCl ALBB-009489 [0,2,0,0,0,0|2,0,0]=4
18  B5R0.3  CNC(=O)CN ALBB-026423 [0,2,0,0,0,0|2,0,0]=4
19  B5R0.3  CNC(=O)CN ALBB-026423 [0,2,0,0,0,0|2,0,0]=4
20  B5R0.3  CNC(=O)CO ALBB-026669 [0,2,0,0,0,0|1,0,0]=3
21  B5R0.3  COC(=N)CCl ALBB-033135 [0,2,0,0,0,0|2,0,0]=4
22  B5R0.3  COC(=O)C#N ALBB-036369 [0,2,0,0,0,0|1,0,0]=3
23  B5R0.3  COC(=S)NN ALBB-027694 [0,2,0,0,0,0|1,1,0]=4
24  B5R0.3  NNC(=O)CO ALBB-016554 [0,2,0,0,0,0|1,0,0]=3
25  B5R0.3  N\C(CCl)=N/O ALBB-022322 [0,2,0,0,0,0|2,0,0]=4
26  B5R0.5  C=C(C)C(C)=O ALBB-035703 [0,2,0,0,0,0|2,0,0]=4
27  B5R0.5  CC(Cl)C(N)=O ALBB-013454 [0,2,0,0,0,0|2,0,0]=4