pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.77	Baltruschat ChEMBL	1	0	CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc(N3CC[NH2+]CC3)cc2)c1	CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc(N3CCNCC3)cc2)c1	mol18172	CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc(N3CCNCC3)cc2)c1