pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.14	Baltruschat ChEMBL	1	0	C[C@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@H]1C(=O)Nc1ccc[nH+]c1	C[C@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@H]1C(=O)Nc1cccnc1	mol19566	CC1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1cccnc1