pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.66	Datawarrior	1	0	CCOC(=O)C[C@H](c1ccccc1)[NH+](C)C	CCOC(=O)C[C@H](c1ccccc1)N(C)C	mol14464	CCOC(=O)CC(c1ccccc1)N(C)C
7.6599998	OCHEM	1	0	CCOC(=O)C[C@H](c1ccccc1)[NH+](C)C	CCOC(=O)C[C@H](c1ccccc1)N(C)C	mol14464	CCOC(=O)CC(c1ccccc1)N(C)C
6.34000015258789	QSARToolbox	1	0	CCOC(=O)C[C@H](c1ccccc1)[NH+](C)C	CCOC(=O)C[C@H](c1ccccc1)N(C)C	mol14464	CCOC(=O)CC(c1ccccc1)N(C)C