pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Datawarrior	1	0	C[NH+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1	CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1	mol15343	CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1