pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	OCHEM	1	0	C=C(Br)COc1noc2c1C[NH2+]CC2	C=C(Br)COc1noc2c1CNCC2	mol20595	C=C(Br)COc1noc2c1CNCC2
7.59999990463257	QSARToolbox	1	0	C=C(Br)COc1noc2c1C[NH2+]CC2	C=C(Br)COc1noc2c1CNCC2	mol20595	C=C(Br)COc1noc2c1CNCC2
