pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.2	Baltruschat ChEMBL	1	0	CC(C)(C)[NH2+]C[C@@H](O)CO/N=C(\CN1CCOC1)C1CC1	CC(C)(C)NC[C@@H](O)CO/N=C(\CN1CCOC1)C1CC1	mol17342	CC(C)(C)NCC(O)CO/N=C(\CN1CCOC1)C1CC1