pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	QSARToolbox	1	0	Cc1cc2c(cc1C)N(C)C1=NCN(C)C(=O)C1=[NH+]2,Cc1cc2c(cc1C)N(C)C1=[NH+]CN(C)C(=O)C1=N2,Cc1cc2c(cc1C)N(C)C1=NCN(C)C(=[OH+])C1=N2	Cc1cc2c(cc1C)N(C)C1=NCN(C)C(=O)C1=N2	mol36518	Cc1cc2c(cc1C)N(C)C1=NCN(C)C(=O)C1=N2