pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.14	AttenGpKa training set	1	0	Nc1cc[n+](CCOP(=O)(O)O)c(N)n1,Nc1cc[n+](CCOP(=O)([O-])O)c(N)[nH+]1,Nc1nc([NH3+])cc[n+]1CCOP(=O)([O-])O	Nc1cc[n+](CCOP(=O)([O-])O)c(N)n1	mol29000	Nc1cc[n+](CCOP(=O)(O)O)c(N)n1