pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.18	Hunt	1	0	Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H](C2)O3)cc1NC(=O)C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	Cc1ccc(C(=O)N2C[C@H]3CNC[C@@H](C2)O3)cc1NC(=O)C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	mol621	Cc1ccc(C(=O)N2C[C@H]3CNC[C@@H](C2)O3)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2