pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Baltruschat ChEMBL	1	0	CCc1ccccc1C(=O)N(C1CCC2(CC1)OCCO2)[C@H](Cc1ccc(Cl)cc1)C[NH+](C)C	CCc1ccccc1C(=O)N(C1CCC2(CC1)OCCO2)[C@H](Cc1ccc(Cl)cc1)CN(C)C	mol21506	CCc1ccccc1C(=O)N(C1CCC2(CC1)OCCO2)C(Cc1ccc(Cl)cc1)CN(C)C