pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.03	Baltruschat ChEMBL	2	1	O=C(NOCCO)c1[nH+]cc2c[nH+]cn2c1Nc1ccc(I)cc1F,O=C(NOCCO)c1ncc2c[nH+]cn2c1[NH2+]c1ccc(I)cc1F	O=C(NOCCO)c1ncc2c[nH+]cn2c1Nc1ccc(I)cc1F,O=C(NOCCO)c1ncc2cncn2c1[NH2+]c1ccc(I)cc1F,O=C(NOCCO)c1[nH+]cc2cncn2c1Nc1ccc(I)cc1F	mol16053	O=C(NOCCO)c1ncc2cncn2c1Nc1ccc(I)cc1F