pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	Baltruschat ChEMBL	0	-1	O=C([O-])/C=C\C1=CC[NH2+]CC1	O=C([O-])/C=C\C1=CCNCC1	mol16721	O=C(O)/C=C/C1=CCNCC1
4.1	Baltruschat ChEMBL	1	0	O=C(O)/C=C\C1=CC[NH2+]CC1	O=C([O-])/C=C\C1=CC[NH2+]CC1	mol16721	O=C(O)/C=C/C1=CCNCC1