0 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] C00123_2 [0,1,0,0,1,0|1,0,0]=3 1 B8R0.23 CC(C)C[C@H](C(=O)[O-])[NH3+] C00123_1 [0,1,0,0,1,0|1,0,0]=3