pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.86	OCHEM	1	0	Cc1cccc(C)c1C[NH2+]c1cc(C(=O)N(C)C)nc2c(C)c(C)n(Cc3ccccc3)c12,Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)[nH+]c2c(C)c(C)n(Cc3ccccc3)c12	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(Cc3ccccc3)c12	mol19306	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(Cc3ccccc3)c12
6.8600001335144	QSARToolbox	1	0	Cc1cccc(C)c1C[NH2+]c1cc(C(=O)N(C)C)nc2c(C)c(C)n(Cc3ccccc3)c12,Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)[nH+]c2c(C)c(C)n(Cc3ccccc3)c12	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(Cc3ccccc3)c12	mol19306	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(Cc3ccccc3)c12