pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.63	Datawarrior	0	-1	O=C1NC(=O)[C@@H]2CC[C@H]12	O=C1[N-]C(=O)[C@@H]2CC[C@H]12	mol13542	O=C1NC(=O)C2CCC12
9.6300001	OCHEM	0	-1	O=C1NC(=O)[C@@H]2CC[C@H]12	O=C1[N-]C(=O)[C@@H]2CC[C@H]12	mol13542	O=C1NC(=O)C2CCC12
9.63000011444092	QSARToolbox	0	-1	O=C1NC(=O)[C@@H]2CC[C@H]12	O=C1[N-]C(=O)[C@@H]2CC[C@H]12	mol13542	O=C1NC(=O)C2CCC12