0  B4R0.1  C#CC(N)=O P39827 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.1  CC(=O)CN A38843 [0,0,0,0,0,0|4,0,0]=4
2  B4R0.1  CC(=O)CO H60801 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  CC(=O)NN A64932 [0,0,0,0,0,0|3,1,0]=4
4  B4R0.1  CCC(N)=O P68920 [0,0,0,0,0,0|4,0,0]=4
5  B4R0.1  CC[S@](=O)[O-] S39781 [0,0,0,0,0,0|3,0,1]=4
6  B4R0.1  NC(=O)CBr B39771 [0,0,0,0,0,0|4,0,0]=4
7  B4R0.1  NC(=O)CI K60849 [0,0,0,0,0,0|4,0,0]=4
8  B4R0.1  NC(=O)CO H68919 [0,0,0,0,0,0|3,0,1]=4
9  B4R0.1  NCC(N)=O G69255 [0,0,0,0,0,0|4,0,0]=4
10  B4R0.1  NNC(N)=O S69135 [0,0,0,0,0,0|3,1,0]=4
11  B3R0.2  CC(=O)O F69263 [1,0,0,0,0,0|2,0,1]=4
12  B3R0.2  CC(=O)[O-] C69398 [1,0,0,0,0,0|2,0,1]=4
13  B3R0.2  CC(=O)[O-] M67642 [1,0,0,0,0,0|2,0,1]=4
14  B3R0.2  CC(=O)[O-] N62590 [1,0,0,0,0,0|2,0,1]=4
15  B3R0.2  CC(=O)[O-] P67455 [1,0,0,0,0,0|2,0,1]=4
16  B3R0.2  CC(=O)[O-] R62611 [1,0,0,0,0,0|2,0,1]=4
17  B3R0.2  CC(=O)[O-] S62515 [1,0,0,0,0,0|2,0,1]=4
18  B3R0.2  C[S@](=O)[O-] S60840 [1,0,0,0,0,0|2,0,1]=4
19  B3R0.2  O=C([O-])[O-] S60755 [1,0,0,0,0,0|1,0,2]=4
20  B5R0.3  O=CC(Br)C=O B2627 [0,1,0,0,0,0|3,0,0]=4
21  B5R0.4  CCS(N)(=O)=O E39787 [0,1,0,0,0,0|3,0,0]=4
22  B5R0.4  CNS(C)(=O)=O M39134 [0,1,0,0,0,0|2,1,0]=4
23  B5R0.4  COS(C)(=O)=O M67643 [0,1,0,0,0,0|3,0,0]=4
24  B5R0.5  CC(=O)C(=O)[O-] C43424 [0,1,0,0,0,0|2,0,1]=4
25  B5R0.5  O=C(O)C(=O)O A69569 [0,1,0,0,0,0|2,0,1]=4
26  B5R0.5  O=C(O)C(=O)O E39942 [0,1,0,0,0,0|2,0,1]=4
27  B4R0.3  CS(=O)(=O)[O-] S62601 [1,1,0,0,0,0|1,0,1]=4
28  B4R0.3  CS(C)(=O)=O M60798 [1,1,0,0,0,0|2,0,0]=4
29  B4R0.3  CS(N)(=O)=O M69310 [1,1,0,0,0,0|1,1,0]=4
30  B4R0.3  NS(=O)(=O)Cl S60606 [1,1,0,0,0,0|1,1,0]=4
31  B4R0.3  NS(N)(=O)=O S39159 [1,1,0,0,0,0|1,1,0]=4
32  B4R0.3  O=S(=O)(O)O M68565 [1,1,0,0,0,0|1,0,1]=4
33  B4R0.3  O=S(=O)([O-])[O-] A64802 [1,1,0,0,0,0|1,0,1]=4
34  B4R0.3  O=S(=O)([O-])[O-] C60885 [1,1,0,0,0,0|1,0,1]=4
35  B4R0.3  O=S(=O)([O-])[O-] C64768 [1,1,0,0,0,0|1,0,1]=4