pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Datawarrior	1	0	C1=C(c2nc3ccccc3s2)C2CC[NH+]1CC2	C1=C(c2nc3ccccc3s2)C2CCN1CC2	mol15134	C1=C(c2nc3ccccc3s2)C2CCN1CC2
7.4000001	OCHEM	1	0	C1=C(c2nc3ccccc3s2)C2CC[NH+]1CC2	C1=C(c2nc3ccccc3s2)C2CCN1CC2	mol15134	C1=C(c2nc3ccccc3s2)C2CCN1CC2
7.40000009536743	QSARToolbox	1	0	C1=C(c2nc3ccccc3s2)C2CC[NH+]1CC2	C1=C(c2nc3ccccc3s2)C2CCN1CC2	mol15134	C1=C(c2nc3ccccc3s2)C2CCN1CC2