pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.05	AttenGpKa training set	0	-1	O=C(Cc1c[nH]cn1)NO	O=C(Cc1c[nH]cn1)N[O-],O=C(Cc1c[nH]cn1)[N-]O	mol31401	O=C(Cc1c[nH]cn1)NO
6.17	AttenGpKa training set	1	0	O=C(Cc1c[nH]c[nH+]1)NO	O=C(Cc1c[nH]cn1)NO	mol31401	O=C(Cc1c[nH]cn1)NO