pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Baltruschat ChEMBL	1	0	Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(-c3cccc(Cl)c3)[nH+]c2)no1,Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(-c3cccc(Cl)c3)nc2)[nH+]o1	Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(-c3cccc(Cl)c3)nc2)no1	mol18327	Cc1cc(C(=O)N2CCCC2c2ccc(-c3cccc(Cl)c3)nc2)no1