pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Baltruschat ChEMBL	0	-1	CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1ccc(-c2nnn[nH]2)cc1	CCCCc1nc(Cl)c(Cc2nnn[n-]2)n1Cc1ccc(-c2nnn[nH]2)cc1,CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1ccc(-c2nnn[n-]2)cc1	mol18476	CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1ccc(-c2nnn[nH]2)cc1