0  B5R0.3  COC(C)CN c04117 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.3  NC(CO)C(=O)O a05622 [0,1,0,0,0,0|1,1,1]=4
2  B6R0.3  NC(CS)C(=O)O a05621 [0,1,0,0,0,0|1,0,1]=3
3  B6R0.3  NC(CS)C(=O)O a05623 [0,1,0,0,0,0|1,0,1]=3
4  B6R0.3  N[C@@H](CS)C(=O)O e00655 [0,1,0,0,0,0|1,0,1]=3
5  B6R0.9  CCC(CN)OC c04119 [0,1,0,0,0,0|2,1,0]=4
6  B5R0.5  CC(N)C(=O)O a05624 [1,1,0,0,0,0|1,0,1]=4