pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	Baltruschat ChEMBL	0	-1	O=C([O-])CCC1=CC[NH2+]CC1	O=C([O-])CCC1=CCNCC1	mol16715	O=C(O)CCC1=CCNCC1
3.7	Baltruschat ChEMBL	1	0	O=C(O)CCC1=CC[NH2+]CC1	O=C([O-])CCC1=CC[NH2+]CC1	mol16715	O=C(O)CCC1=CCNCC1