pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	1	0	NC1=[NH+]c2ccc(Cl)cc2[C@H]2CCC[C@@H]12	NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@H]12	mol20437	NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@H]12