pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Novartis	1	0	CNC(=O)c1ccc(Oc2ccc3c(c2)CC[NH+](C2CCC2)CC3)nc1	CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1	mol2833	CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1