pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Datawarrior	0	-1	CN1C[C@H](O)C2=CC(=NO)C(=O)C=C21	CN1C[C@H](O)C2=CC(=N[O-])C(=O)C=C21	mol11019	CN1CC(O)C2=CC(=NO)C(=O)C=C21
8.6000004	OCHEM	0	-1	CN1C[C@H](O)C2=CC(=NO)C(=O)C=C21	CN1C[C@H](O)C2=CC(=N[O-])C(=O)C=C21	mol11019	CN1CC(O)C2=CC(=NO)C(=O)C=C21
8.60000038146973	QSARToolbox	0	-1	CN1C[C@H](O)C2=CC(=NO)C(=O)C=C21	CN1C[C@H](O)C2=CC(=N[O-])C(=O)C=C21	mol11019	CN1CC(O)C2=CC(=NO)C(=O)C=C21