pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.67	IUPAC digitized pKa	1	0	CCN(CC)c1nc[nH+]c2[nH]ncc12,CCN(CC)c1ncnc2[nH][nH+]cc12,CCN(CC)c1[nH+]cnc2[nH]ncc12,CC[NH+](CC)c1ncnc2[nH]ncc12	CCN(CC)c1ncnc2[nH]ncc12	mol4940	CCN(CC)c1ncnc2[nH]ncc12
4.71	Datawarrior	1	0	CCN(CC)c1nc[nH+]c2[nH]ncc12,CCN(CC)c1ncnc2[nH][nH+]cc12,CCN(CC)c1[nH+]cnc2[nH]ncc12,CC[NH+](CC)c1ncnc2[nH]ncc12	CCN(CC)c1ncnc2[nH]ncc12	mol4940	CCN(CC)c1ncnc2[nH]ncc12
4.71000003814697	QSARToolbox	1	0	CCN(CC)c1nc[nH+]c2[nH]ncc12,CCN(CC)c1ncnc2[nH][nH+]cc12,CCN(CC)c1[nH+]cnc2[nH]ncc12,CC[NH+](CC)c1ncnc2[nH]ncc12	CCN(CC)c1ncnc2[nH]ncc12	mol4940	CCN(CC)c1ncnc2[nH]ncc12