pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	Baltruschat ChEMBL	0	-1	CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])n2ccc[nH+]c12)C(=O)C1CC1,CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)n2cccnc12)C(=O)C1CC1	CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])n2cccnc12)C(=O)C1CC1	mol17885	CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)n2cccnc12)C(=O)C1CC1
1.7	Baltruschat ChEMBL	2	1	CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)n2ccc[nH+]c12)C(=[OH+])C1CC1	CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)n2ccc[nH+]c12)C(=O)C1CC1	mol17885	CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)n2cccnc12)C(=O)C1CC1