pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.61999988555908	QSARToolbox	1	0	COC(=O)Cc1cn2c([nH+]1)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]2CO,COC(=O)Cc1cn2c(n1)[C@H](NC(C)=O)[C@@H]([OH2+])[C@H](O)[C@H]2CO	COC(=O)Cc1cn2c(n1)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]2CO	mol36601	COC(=O)Cc1cn2c(n1)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]2CO