pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.88	Datawarrior	1	0	C=CC(C)(C)[NH2+]c1ccccc1	C=CC(C)(C)Nc1ccccc1	mol12635	C=CC(C)(C)Nc1ccccc1
4.8800001	OCHEM	1	0	C=CC(C)(C)[NH2+]c1ccccc1	C=CC(C)(C)Nc1ccccc1	mol12635	C=CC(C)(C)Nc1ccccc1
9.11999988555908	QSARToolbox	1	0	C=CC(C)(C)[NH2+]c1ccccc1	C=CC(C)(C)Nc1ccccc1	mol12635	C=CC(C)(C)Nc1ccccc1