pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.96	Datawarrior	1	0	Cc1cc(N)cc(C)c1C(=O)NCC[NH+]1CCOCC1	Cc1cc(N)cc(C)c1C(=O)NCCN1CCOCC1	mol14768	Cc1cc(N)cc(C)c1C(=O)NCCN1CCOCC1
5.96000003814697	QSARToolbox	1	0	Cc1cc(N)cc(C)c1C(=O)NCC[NH+]1CCOCC1	Cc1cc(N)cc(C)c1C(=O)NCCN1CCOCC1	mol14768	Cc1cc(N)cc(C)c1C(=O)NCCN1CCOCC1