pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.64	Baltruschat ChEMBL	1	0	C[NH+]1[C@@H]2C[C@@H](OC(=O)c3c[nH]c4ccccc34)C[C@H]1[C@H]1O[C@H]12	CN1[C@@H]2C[C@@H](OC(=O)c3c[nH]c4ccccc34)C[C@H]1[C@H]1O[C@H]12	mol16233	CN1C2CC(OC(=O)c3c[nH]c4ccccc34)CC1C1OC12