pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.7	Baltruschat ChEMBL	2	1	Cc1nc2ccncc2n2c(-c3ccccc3Cl)[nH+][nH+]c12	Cc1nc2ccncc2n2c(-c3ccccc3Cl)n[nH+]c12,Cc1[nH+]c2ccncc2n2c(-c3ccccc3Cl)nnc12,Cc1nc2cc[nH+]cc2n2c(-c3ccccc3Cl)nnc12,Cc1nc2ccncc2n2c(-c3ccccc3Cl)[nH+]nc12	mol16112	Cc1nc2ccncc2n2c(-c3ccccc3Cl)nnc12