pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.10999965667725	QSARToolbox	0	-1	CC(C)(CO)[NH2+]C[C@H](O)CS(=O)(=O)[O-]	CC(C)(CO)NC[C@H](O)CS(=O)(=O)[O-]	mol29617	CC(C)(CO)NCC(O)CS(=O)(=O)O
9.0	QSARToolbox	0	-1	CC(C)(CO)[NH2+]C[C@H](O)CS(=O)(=O)[O-]	CC(C)(CO)NC[C@H](O)CS(=O)(=O)[O-]	mol29617	CC(C)(CO)NCC(O)CS(=O)(=O)O
9.11	AttenGpKa training set	0	-1	CC(C)(CO)[NH2+]C[C@H](O)CS(=O)(=O)[O-]	CC(C)(CO)NC[C@H](O)CS(=O)(=O)[O-]	mol29617	CC(C)(CO)NCC(O)CS(=O)(=O)O