pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.42	IUPAC digitized pKa	1	0	Cc1ccc2ccc3cccnc3c2[nH+]1,Cc1ccc2ccc3ccc[nH+]c3c2n1	Cc1ccc2ccc3cccnc3c2n1	mol5099	Cc1ccc2ccc3cccnc3c2n1
5.45	IUPAC digitized pKa	1	0	Cc1ccc2ccc3cccnc3c2[nH+]1,Cc1ccc2ccc3ccc[nH+]c3c2n1	Cc1ccc2ccc3cccnc3c2n1	mol5099	Cc1ccc2ccc3cccnc3c2n1
5.39	IUPAC digitized pKa	1	0	Cc1ccc2ccc3cccnc3c2[nH+]1,Cc1ccc2ccc3ccc[nH+]c3c2n1	Cc1ccc2ccc3cccnc3c2n1	mol5099	Cc1ccc2ccc3cccnc3c2n1
5.36	Datawarrior	1	0	Cc1ccc2ccc3cccnc3c2[nH+]1,Cc1ccc2ccc3ccc[nH+]c3c2n1	Cc1ccc2ccc3cccnc3c2n1	mol5099	Cc1ccc2ccc3cccnc3c2n1
5.3600001	OCHEM	1	0	Cc1ccc2ccc3cccnc3c2[nH+]1,Cc1ccc2ccc3ccc[nH+]c3c2n1	Cc1ccc2ccc3cccnc3c2n1	mol5099	Cc1ccc2ccc3cccnc3c2n1
5.30000019073486	QSARToolbox	1	0	Cc1ccc2ccc3cccnc3c2[nH+]1,Cc1ccc2ccc3ccc[nH+]c3c2n1	Cc1ccc2ccc3cccnc3c2n1	mol5099	Cc1ccc2ccc3cccnc3c2n1
5.42000007629395	QSARToolbox	1	0	Cc1ccc2ccc3cccnc3c2[nH+]1,Cc1ccc2ccc3ccc[nH+]c3c2n1	Cc1ccc2ccc3cccnc3c2n1	mol5099	Cc1ccc2ccc3cccnc3c2n1