pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.55	Novartis	1	0	O=NC(=O)CCc1ccc(C[NH+]2CCC(c3c[nH]c4ccccc34)CC2)cc1	O=NC(=O)CCc1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1	mol3016	O=NC(=O)CCc1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1