pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.4	Datawarrior	1	0	CC(C)[NH+](Cc1ccccc1O)C(C)C	CC(C)[NH+](Cc1ccccc1[O-])C(C)C	mol14334	CC(C)N(Cc1ccccc1O)C(C)C
7.55	Datawarrior	1	0	CC(C)[NH+](Cc1ccccc1O)C(C)C	CC(C)[NH+](Cc1ccccc1[O-])C(C)C	mol14334	CC(C)N(Cc1ccccc1O)C(C)C
7.5500002	OCHEM	1	0	CC(C)[NH+](Cc1ccccc1O)C(C)C	CC(C)[NH+](Cc1ccccc1[O-])C(C)C	mol14334	CC(C)N(Cc1ccccc1O)C(C)C
11.3999996185303	QSARToolbox	1	0	CC(C)[NH+](Cc1ccccc1O)C(C)C	CC(C)[NH+](Cc1ccccc1[O-])C(C)C	mol14334	CC(C)N(Cc1ccccc1O)C(C)C
7.55000019073486	QSARToolbox	1	0	CC(C)[NH+](Cc1ccccc1O)C(C)C	CC(C)[NH+](Cc1ccccc1[O-])C(C)C	mol14334	CC(C)N(Cc1ccccc1O)C(C)C