pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	OCHEM	0	-1	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](Cc4ccccc4)C(=O)O)cc32)c(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](Cc4ccccc4)C(=O)[O-])cc32)c(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](Cc4ccccc4)C(=O)O)cc32)c(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	mol32255	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](Cc4ccccc4)C(=O)O)cc32)c(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O