pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.97	IUPAC digitized pKa	1	0	Cc1ccc2c(c1)[NH2+]CCN2,Cc1ccc2c(c1)NCC[NH2+]2	Cc1ccc2c(c1)NCCN2	mol4682	Cc1ccc2c(c1)NCCN2
4.9699998	OCHEM	1	0	Cc1ccc2c(c1)[NH2+]CCN2,Cc1ccc2c(c1)NCC[NH2+]2	Cc1ccc2c(c1)NCCN2	mol4682	Cc1ccc2c(c1)NCCN2
2.03	IUPAC digitized pKa	2	1	Cc1ccc2c(c1)[NH2+]CC[NH2+]2	Cc1ccc2c(c1)[NH2+]CCN2,Cc1ccc2c(c1)NCC[NH2+]2	mol4682	Cc1ccc2c(c1)NCCN2
2.02999997138977	QSARToolbox	2	1	Cc1ccc2c(c1)[NH2+]CC[NH2+]2	Cc1ccc2c(c1)[NH2+]CCN2,Cc1ccc2c(c1)NCC[NH2+]2	mol4682	Cc1ccc2c(c1)NCCN2