pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.89999997615814	QSARToolbox	1	0	CC1(C)[NH2+][C@H](C(=O)O)C(C)(C)S1,CC1(C)N[C@H](C(O)=[OH+])C(C)(C)S1	CC1(C)[NH2+][C@H](C(=O)[O-])C(C)(C)S1	mol38356	CC1(C)NC(C(=O)O)C(C)(C)S1