pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Novartis	0	-1	CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1	CC[C@H](C(=O)N[O-])[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1	mol2817	CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1