pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.18	IUPAC digitized pKa	1	0	Cc1cc(C)cc(C(=[NH2+])c2ccccc2)c1	Cc1cc(C)cc(C(=N)c2ccccc2)c1	mol3476	Cc1cc(C)cc(C(=N)c2ccccc2)c1
6.82	Datawarrior	1	0	Cc1cc(C)cc(C(=[NH2+])c2ccccc2)c1	Cc1cc(C)cc(C(=N)c2ccccc2)c1	mol3476	Cc1cc(C)cc(C(=N)c2ccccc2)c1
6.8200002	OCHEM	1	0	Cc1cc(C)cc(C(=[NH2+])c2ccccc2)c1	Cc1cc(C)cc(C(=N)c2ccccc2)c1	mol3476	Cc1cc(C)cc(C(=N)c2ccccc2)c1
7.1	OCHEM	1	0	Cc1cc(C)cc(C(=[NH2+])c2ccccc2)c1	Cc1cc(C)cc(C(=N)c2ccccc2)c1	mol3476	Cc1cc(C)cc(C(=N)c2ccccc2)c1