pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	Novartis	1	0	Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1cccc[nH+]1,Cc1[nH+]c(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccccn1	Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccccn1	mol2930	Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccccn1