0  B9R1.23  NC1=CN(CC)N=C1C      AK488098 [0,0,0,0,0,0|3,0,1]=4
1  B9R1.23  O=CC1=NC(C)=C(C)S1      AK-64606 [0,0,0,0,0,0|1,0,3]=4
2  B8R1.1  CC1=CN=C(CC)N1      AK161824 [1,0,0,0,0,0|1,0,2]=4
3  B8R1.1  CC1=CSC(CC)=N1      AK114234 [1,0,0,0,0,0|0,0,2]=3
4  B8R1.1  CCC1=CC=C(C)S1      AK103790 [1,0,0,0,0,0|1,0,2]=4
5  B8R1.1  OCC1=NC=C(C)S1      AK-48006 [1,0,0,0,0,0|1,0,2]=4
6  B8R1.18  BrC1=NC(=C(S1)C)C      AK-40981 [1,0,0,0,0,0|1,0,2]=4
7  B8R1.18  CC1=C(C)N=C(N)S1      AK-34230 [1,0,0,0,0,0|1,0,2]=4
8  B8R1.18  CC1=NC(C)=C(C)S1      AK-58544 [1,0,0,0,0,0|0,0,2]=3
9  B8R1.18  NC1=NC(C)=C(C)S1      AK-93474 [1,0,0,0,0,0|1,0,2]=4
10  B8R0.8  C[C@H](N)C(CCCC)=O      AK-49433 [0,0,1,0,0,0|3,0,0]=4
11  B7R1.2  C1=C(C)SC(=N1)C      AK-46393 [2,0,0,0,0,0|0,0,2]=4
12  B7R1.2  C1=C(N=C(C)S1)C      AK-35570 [2,0,0,0,0,0|0,0,2]=4
13  B7R1.4  CC1=C(C)N=CS1      AK-46395 [2,0,0,0,0,0|0,0,2]=4
14  B9R1.35  CC1=CSC(C(C)C)=N1      AK114355 [1,1,0,0,0,0|0,0,2]=4
15  B11R1.80  CC1C(C)=NC(CC(C)C)S1      AK-89665 [0,2,0,0,0,0|0,0,0]=2
16  B9R1.6  CC(C1CCCCC1)=O      AK110444 [0,0,1,1,0,0|2,0,0]=4