pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.94	IUPAC digitized pKa	1	0	Cc1cc2ccccc2[nH+]c1C	Cc1cc2ccccc2nc1C	mol4411	Cc1cc2ccccc2nc1C
4.93	Datawarrior	1	0	Cc1cc2ccccc2[nH+]c1C	Cc1cc2ccccc2nc1C	mol4411	Cc1cc2ccccc2nc1C
4.9299998	OCHEM	1	0	Cc1cc2ccccc2[nH+]c1C	Cc1cc2ccccc2nc1C	mol4411	Cc1cc2ccccc2nc1C
9.0600004196167	QSARToolbox	1	0	Cc1cc2ccccc2[nH+]c1C	Cc1cc2ccccc2nc1C	mol4411	Cc1cc2ccccc2nc1C
4.94000005722046	QSARToolbox	1	0	Cc1cc2ccccc2[nH+]c1C	Cc1cc2ccccc2nc1C	mol4411	Cc1cc2ccccc2nc1C