pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	IUPAC digitized pKa	1	0	CCN(CC)c1n[nH+]c(-c2ccccc2)s1,CCN(CC)c1[nH+]nc(-c2ccccc2)s1,CC[NH+](CC)c1nnc(-c2ccccc2)s1	CCN(CC)c1nnc(-c2ccccc2)s1	mol7592	CCN(CC)c1nnc(-c2ccccc2)s1
3.09	Datawarrior	1	0	CCN(CC)c1n[nH+]c(-c2ccccc2)s1,CCN(CC)c1[nH+]nc(-c2ccccc2)s1,CC[NH+](CC)c1nnc(-c2ccccc2)s1	CCN(CC)c1nnc(-c2ccccc2)s1	mol7592	CCN(CC)c1nnc(-c2ccccc2)s1
3.0899999	OCHEM	1	0	CCN(CC)c1n[nH+]c(-c2ccccc2)s1,CCN(CC)c1[nH+]nc(-c2ccccc2)s1,CC[NH+](CC)c1nnc(-c2ccccc2)s1	CCN(CC)c1nnc(-c2ccccc2)s1	mol7592	CCN(CC)c1nnc(-c2ccccc2)s1