0  B6R0.2  CC(C)CC(N)=O BTB12988 [0,0,0,0,0,0|1,0,0]=1
1  B7R0.2  COC(=O)C[C@@H](C)O SB01506 [0,1,0,0,0,0|3,0,0]=4
2  B7R1.2  CN1C=CC(N)=N1 GK00321 [0,0,0,1,0,0|2,0,1]=4
3  B5R0.5  CC(C)C(=N)N RF02291 [0,0,0,0,1,0|2,0,0]=3
4  B5R0.5  CN(C)C(=S)Cl SB01644 [0,0,0,0,1,0|1,1,0]=3
5  B4R0.1  CSC(=N)N KM00619 [2,0,0,0,0,0|2,0,0]=4
6  B4R0.1  NC(=O)CS GK00437 [2,0,0,0,0,0|1,0,0]=3
7  B4R0.2  CSCCN CD06838 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.1  CCC\C(N)=N\O MO07267 [1,1,0,0,0,0|1,0,1]=4
9  B6R0.4  C#CCNC(N)=O CD11100 [1,1,0,0,0,0|1,0,1]=4
10  B6R0.7  CC(C)(C)C(=N)N RF01501 [0,1,0,0,1,0|2,0,0]=4
11  B6R1.2  O=C1CCOC1 MO08444 [1,0,0,1,0,0|2,0,0]=4
12  B8R1.3  CC1=NNC(=O)CC1 BTB06143 [0,0,0,1,0,1|2,0,0]=4
13  B8R1.3  CN1CCN(N)CC1 AC10403 [0,0,0,1,0,1|2,0,0]=4