pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.80000019073486	QSARToolbox	1	0	O=C1OCC2=C1N1C(=O)[C@@H](NC(=[OH+])Cc3ccccc3)[C@H]1SC2,O=C(Cc1ccccc1)N[C@@H]1C(=[OH+])N2C3=C(COC3=O)CS[C@H]12	O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@H]12	mol37842	O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@H]12