pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.40000009536743	QSARToolbox	0	-1	CC/C=C/CC1=[NH+][C@@H](C(=O)O)[C@@H]2SC(C)(C)[C@H](C(=O)[O-])N12,CC/C=C/CC1=[NH+][C@@H](C(=O)[O-])[C@@H]2SC(C)(C)[C@H](C(=O)O)N12	CC/C=C/CC1=N[C@@H](C(=O)O)[C@@H]2SC(C)(C)[C@H](C(=O)[O-])N12,CC/C=C/CC1=[NH+][C@@H](C(=O)[O-])[C@@H]2SC(C)(C)[C@H](C(=O)[O-])N12	mol37240	CC/C=C/CC1=NC(C(=O)O)C2SC(C)(C)[C@H](C(=O)O)N12