pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.76	IUPAC digitized pKa	1	0	CCN1CCNc2c(C)nc(Cl)[nH+]c21,CC[NH+]1CCNc2c(C)nc(Cl)nc21,CCN1CC[NH2+]c2c(C)nc(Cl)nc21,CCN1CCNc2c1nc(Cl)[nH+]c2C	CCN1CCNc2c(C)nc(Cl)nc21	mol4750	CCN1CCNc2c(C)nc(Cl)nc21
3.79999995231628	QSARToolbox	1	0	CCN1CCNc2c(C)nc(Cl)[nH+]c21,CC[NH+]1CCNc2c(C)nc(Cl)nc21,CCN1CC[NH2+]c2c(C)nc(Cl)nc21,CCN1CCNc2c1nc(Cl)[nH+]c2C	CCN1CCNc2c(C)nc(Cl)nc21	mol4750	CCN1CCNc2c(C)nc(Cl)nc21