0  B6R0.2  CC(=O)NC(=N)N BB56-2578 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  CCOC(C)=N BB12-3674 [1,0,0,0,0,0|1,0,1]=3
3  B5R0.1  CNCC(C)=O BB12-3010 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.2  CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,0|2,0,1]=4
5  B7R0.2  CNC(=O)CC(C)N BB12-1658 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.2  C\C(C=O)=C\N(C)C BB12-3546 [0,1,0,0,0,0|2,0,1]=4
7  B7R0.9  CC(=O)CS(C)(=O)=O BB12-0011 [0,1,0,0,0,0|3,0,0]=4
8  B7R0.9  CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,0,0|1,0,2]=4
9  B7R1.2  CC1=CC(C)=NO1 BB01-6357 [0,0,0,1,0,0|2,0,1]=4
10  B7R1.2  CC1=NN=C(O)O1 BB12-2756 [0,0,0,1,0,0|2,0,1]=4
11  B7R1.2  CC1=NN=C(S)O1 BB12-2764 [0,0,0,1,0,0|2,1,0]=4
12  B7R1.2  CC1=NNC(C)=N1 BB12-3420 [0,0,0,1,0,0|3,0,0]=4
13  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,0|2,0,0]=3
14  B7R1.2  O=C1CNC(=S)N1 BB20-3124 [0,0,0,1,0,0|3,0,0]=4
15  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,0,0,0,1,0|2,0,1]=4
16  B7R0.6  C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,1|0,0,0]=1
17  B7R0.6  CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,1|2,0,0]=3
18  B7R0.6  CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,1|2,0,1]=4
19  B6R0.1  C#CC(=O)OCC BB53-1426 [1,1,0,0,0,0|0,0,2]=4
20  B8R0.18  CC(=O)C(=NO)C(C)=O BB12-1907 [0,2,0,0,0,0|2,0,0]=4
21  B6R1.2  CC1=NC=CS1 BB20-4630 [1,0,0,1,0,0|1,1,0]=4
22  B8R1.3  CC1=CN=C(C)N=C1 BB17-2149 [0,0,0,1,0,1|2,0,0]=4
23  B8R1.1  CC1=CC=C(C#N)O1 BB12-3501 [0,1,0,1,0,0|1,0,1]=4
24  B8R1.1  CC1=CSC(CN)=N1 BB12-3520 [0,1,0,1,0,0|1,1,0]=4
25  B8R1.1  CC1=CSC(CO)=N1 BB12-3372 [0,1,0,1,0,0|1,1,0]=4
26  B8R1.1  OCC1=CC=C(Br)O1 BB90-0114 [0,1,0,1,0,0|1,0,1]=4