pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.54	Datawarrior	0	-1	O=C(O)[C@H](P)CC[C@H](P)C(=O)O	O=C([O-])[C@H](P)CC[C@H](P)C(=O)O	mol12861	O=C(O)[C@H](P)CC[C@H](P)C(=O)O
4.49	Datawarrior	0	-1	O=C(O)[C@H](P)CC[C@H](P)C(=O)O	O=C([O-])[C@H](P)CC[C@H](P)C(=O)O	mol12861	O=C(O)[C@H](P)CC[C@H](P)C(=O)O
3.53999996185303	QSARToolbox	0	-1	O=C(O)[C@H](P)CC[C@H](P)C(=O)O	O=C([O-])[C@H](P)CC[C@H](P)C(=O)O	mol12861	O=C(O)[C@H](P)CC[C@H](P)C(=O)O