pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.47	OCHEM	1	0	C[NH+](C)c1ccc(C=Cc2nnnn2-c2ccccc2)cc1	CN(C)c1ccc(C=Cc2nnnn2-c2ccccc2)cc1	mol32748	CN(C)c1ccc(C=Cc2nnnn2-c2ccccc2)cc1
3.47000002861023	QSARToolbox	1	0	C[NH+](C)c1ccc(C=Cc2nnnn2-c2ccccc2)cc1	CN(C)c1ccc(C=Cc2nnnn2-c2ccccc2)cc1	mol32748	CN(C)c1ccc(C=Cc2nnnn2-c2ccccc2)cc1