pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Baltruschat ChEMBL	1	0	FC(F)(F)c1ccccc1-c1nc(-c2ccc3[nH+]c[nH]c3c2)no1,FC(F)(F)c1ccccc1-c1[nH+]c(-c2ccc3nc[nH]c3c2)no1,FC(F)(F)c1ccccc1-c1nc(-c2ccc3nc[nH]c3c2)[nH+]o1	FC(F)(F)c1ccccc1-c1nc(-c2ccc3nc[nH]c3c2)no1	mol18032	FC(F)(F)c1ccccc1-c1nc(-c2ccc3nc[nH]c3c2)no1