pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23	Baltruschat ChEMBL	1	0	O=C(c1cccs1)N1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1	O=C(c1cccs1)N1CCN(CCOc2ccc(Cl)cc2Cl)CC1	mol19608	O=C(c1cccs1)N1CCN(CCOc2ccc(Cl)cc2Cl)CC1