pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	Baltruschat ChEMBL	0	-1	CCc1nc2c(C)cc(C)[nH+]c2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1,CCc1[nH+]c2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	mol19278	CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1