0  B7R0.6  C(NC(C)=O)C(=O)O A1250 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.6  CC(=O)CNC(C)=O O12675 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.6  NC(=O)N=NC(N)=O A16684 [0,0,0,0,0,0|0,0,0]=0
3  B8R0.9  NCC(=O)CCC(=O)O A4094 [0,1,0,0,0,0|3,0,0]=4
4  B8R0.9  NCC(=O)CCC(=O)O A4094 [0,1,0,0,0,0|3,0,0]=4
5  B8R0.9  NCC(=O)NCC(=O)O G0812 [0,1,0,0,0,0|2,0,1]=4
6  B8R0.23  NC(=O)C[C@H](N)C(=O)O A6288 [0,1,0,0,0,0|3,0,0]=4
7  B8R1.3  NC1=CC=C(Cl)N=N1 C12532 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.3  NC1=CN=C(N)C=C1 D11589 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.3  NC1=CN=C(N)C=C1 D5349 [0,0,0,1,0,0|3,0,0]=4
10  B6R0.2  C\C(N)=C/C(N)=S A18256 [0,0,0,0,1,0|2,1,0]=4
11  B6R0.2  N=C(N)NC(N)=S A0430 [0,0,0,0,1,0|1,1,1]=4
12  B7R1.2  NC1=NN=C(S)S1 A1418 [1,0,0,1,0,0|0,2,0]=4
13  B7R1.2  O=C1C=CC(=O)N1 M17760 [1,0,0,1,0,0|2,0,0]=4
14  B7R1.2  O=C1CSC(=O)N1 T0472 [1,0,0,1,0,0|2,0,0]=4
15  B9R1.69  O=C1NN=C(Br)C(=O)N1 B8661 [0,1,0,1,0,0|1,0,1]=4
16  B5R0.5  C[C@H](N)C(N)=O A6327 [0,0,0,0,2,0|1,0,1]=4