pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.13	Datawarrior	1	0	Cn1cc2ccccc2[nH+]1	Cn1cc2ccccc2n1	mol13161	Cn1cc2ccccc2n1
2.1300001	OCHEM	1	0	Cn1cc2ccccc2[nH+]1	Cn1cc2ccccc2n1	mol13161	Cn1cc2ccccc2n1
2.13000011444092	QSARToolbox	1	0	Cn1cc2ccccc2[nH+]1	Cn1cc2ccccc2n1	mol13161	Cn1cc2ccccc2n1
2.01	AttenGpKa training set	1	0	Cn1cc2ccccc2[nH+]1	Cn1cc2ccccc2n1	mol13161	Cn1cc2ccccc2n1