pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Datawarrior	1	0	C[NH+](C)Cc1c(C(C)(C)C)cccc1C(C)(C)C	CN(C)Cc1c(C(C)(C)C)cccc1C(C)(C)C	mol14872	CN(C)Cc1c(C(C)(C)C)cccc1C(C)(C)C
9.1999998	OCHEM	1	0	C[NH+](C)Cc1c(C(C)(C)C)cccc1C(C)(C)C	CN(C)Cc1c(C(C)(C)C)cccc1C(C)(C)C	mol14872	CN(C)Cc1c(C(C)(C)C)cccc1C(C)(C)C
9.19999980926514	QSARToolbox	1	0	C[NH+](C)Cc1c(C(C)(C)C)cccc1C(C)(C)C	CN(C)Cc1c(C(C)(C)C)cccc1C(C)(C)C	mol14872	CN(C)Cc1c(C(C)(C)C)cccc1C(C)(C)C