pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.56	Baltruschat ChEMBL	1	0	C[C@@]12C[C@H]3C[C@@H](C1)C[C@]([NH3+])(C3)C2	C[C@@]12C[C@H]3C[C@@H](C1)C[C@](N)(C3)C2	mol18261	CC12CC3CC(C1)CC(N)(C3)C2