pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	0	-1	CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccc([NH3+])cc3)C(=O)N2[C@@H]1C(=O)[O-]	CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccc(N)cc3)C(=O)N2[C@@H]1C(=O)[O-]	mol14641	CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccc(N)cc3)C(=O)N2[C@@H]1C(=O)O