pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.59	Novartis	1	0	Cc1[nH]c2ccccc2c1[C@H]1CC[NH+](Cc2ccc(CCC(=O)N=O)cc2)C1	Cc1[nH]c2ccccc2c1[C@H]1CCN(Cc2ccc(CCC(=O)N=O)cc2)C1	mol2891	Cc1[nH]c2ccccc2c1C1CCN(Cc2ccc(CCC(=O)N=O)cc2)C1