pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Datawarrior	1	0	O=C(Cc1ccc2ccc3ccc[nH+]c3c2n1)c1ccccc1,O=C(Cc1ccc2ccc3cccnc3c2[nH+]1)c1ccccc1	O=C(Cc1ccc2ccc3cccnc3c2n1)c1ccccc1	mol15636	O=C(Cc1ccc2ccc3cccnc3c2n1)c1ccccc1
4.4000001	OCHEM	1	0	O=C(Cc1ccc2ccc3ccc[nH+]c3c2n1)c1ccccc1,O=C(Cc1ccc2ccc3cccnc3c2[nH+]1)c1ccccc1	O=C(Cc1ccc2ccc3cccnc3c2n1)c1ccccc1	mol15636	O=C(Cc1ccc2ccc3cccnc3c2n1)c1ccccc1
4.40000009536743	QSARToolbox	1	0	O=C(Cc1ccc2ccc3ccc[nH+]c3c2n1)c1ccccc1,O=C(Cc1ccc2ccc3cccnc3c2[nH+]1)c1ccccc1	O=C(Cc1ccc2ccc3cccnc3c2n1)c1ccccc1	mol15636	O=C(Cc1ccc2ccc3cccnc3c2n1)c1ccccc1