pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Baltruschat ChEMBL	1	0	Cc1ccccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1C[C@H]1CCC[NH+](C(C)C)C1	Cc1ccccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1	mol16832	Cc1ccccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1