pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Datawarrior	1	0	CC1=Nc2ccc(C)cc2[NH+]=C(C)C1,CC1=Nc2cc(C)ccc2[NH+]=C(C)C1	CC1=Nc2ccc(C)cc2N=C(C)C1	mol13373	CC1=Nc2ccc(C)cc2N=C(C)C1
3.75	OCHEM	1	0	CC1=Nc2ccc(C)cc2[NH+]=C(C)C1,CC1=Nc2cc(C)ccc2[NH+]=C(C)C1	CC1=Nc2ccc(C)cc2N=C(C)C1	mol13373	CC1=Nc2ccc(C)cc2N=C(C)C1