pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	1	0	[NH3+]c1ncc2n1C[C@@H](Cc1cccc3c1OCO3)CC2,Nc1[nH+]cc2n1C[C@@H](Cc1cccc3c1OCO3)CC2	Nc1ncc2n1C[C@@H](Cc1cccc3c1OCO3)CC2	mol19254	Nc1ncc2n1CC(Cc1cccc3c1OCO3)CC2