pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	Novartis	0	-1	O=C(Nc1nccs1)[C@H](CC1CCCC1)c1ccc(Cl)cc1	O=C([N-]c1nccs1)[C@H](CC1CCCC1)c1ccc(Cl)cc1	mol2989	O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(Cl)cc1