pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	Baltruschat ChEMBL	0	-1	O=[P@@]1(O)NCCCO1	O=[P@@]1([O-])NCCCO1	mol21409	O=P1(O)NCCCO1
4.09999990463257	QSARToolbox	0	-1	O=[P@@]1(O)NCCCO1	O=[P@@]1([O-])NCCCO1	mol21409	O=P1(O)NCCCO1