pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.22	Baltruschat ChEMBL	1	0	c1ccc2cc(-c3nc(-c4ccc5nc[nH]c5c4)[nH+]o3)ccc2c1,c1ccc2cc(-c3[nH+]c(-c4ccc5nc[nH]c5c4)no3)ccc2c1,c1ccc2cc(-c3nc(-c4ccc5[nH+]c[nH]c5c4)no3)ccc2c1	c1ccc2cc(-c3nc(-c4ccc5nc[nH]c5c4)no3)ccc2c1	mol18037	c1ccc2cc(-c3nc(-c4ccc5nc[nH]c5c4)no3)ccc2c1