0  B6R0.4  C#CCNC(N)=O CD11100 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.5  C=CC[C@H](N)C(=O)O MAY00253 [0,1,0,0,0,0|2,0,1]=4
2  B7R1.3  IC1CCOCC1 CC29911 [0,0,0,1,0,0|1,1,1]=4
3  B7R1.3  IC1CCSCC1 CC61911 [0,0,0,1,0,0|1,0,1]=3
4  B7R1.3  O=C1CCOCC1 SB01650 [0,0,0,1,0,0|0,1,0]=2
5  B7R1.3  OC1CCSCC1 CC61915 [0,0,0,1,0,0|0,0,2]=3
6  B7R1.10  C=C1CC(C#N)C1 SB02040 [0,0,0,1,0,0|3,0,0]=4
7  B7R1.18  O=C(Cl)C1CCC1 SB01065 [0,0,0,1,0,0|2,0,0]=3
8  B4R0.1  CSC(=N)N KM00619 [2,0,0,0,0,0|2,0,0]=4
9  B4R0.1  NC(=O)CS GK00437 [2,0,0,0,0,0|1,0,0]=3
10  B4R0.2  CSCCN CD06838 [2,0,0,0,0,0|1,0,0]=3
11  B6R0.1  CCC\C(N)=N\O MO07267 [1,1,0,0,0,0|1,0,1]=4
12  B6R0.2  CC(C)CC(N)=O BTB12988 [1,1,0,0,0,0|1,0,0]=3
13  B6R1.2  O=C1CCOC1 MO08444 [1,0,0,1,0,0|0,1,0]=3
14  B8R1.2  N#CC1CCSCC1 CC61916 [0,1,0,1,0,0|1,0,1]=4
15  B8R1.2  NCC1CCSCC1 CC61963 [0,1,0,1,0,0|1,0,1]=4
16  B8R1.2  OCC1CCSCC1 CC61909 [0,1,0,1,0,0|0,0,2]=4
17  B8R1.3  CC1=NNC(=O)CC1 BTB06143 [0,1,0,1,0,0|2,0,0]=4