pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.74000000953674	QSARToolbox	0	-1	CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@@H]2C(=O)O	CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@@H]2C(=O)[O-]	mol22444	CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@@H]2C(=O)O
2.74	AttenGpKa training set	0	-1	CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@@H]2C(=O)O	CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@@H]2C(=O)[O-]	mol22444	CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@@H]2C(=O)O