pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.73	AttenGpKa training set	1	0	CC(C)(C)C(=O)ONc1ccc2c([nH]c3ccccc32)[nH+]1,CC(C)(C)C(=O)O[NH2+]c1ccc2c(n1)[nH]c1ccccc12,CC(C)(C)C(=[OH+])ONc1ccc2c(n1)[nH]c1ccccc12	CC(C)(C)C(=O)ONc1ccc2c(n1)[nH]c1ccccc12	mol26732	CC(C)(C)C(=O)ONc1ccc2c(n1)[nH]c1ccccc12