pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	Baltruschat ChEMBL	1	0	C[C@@]1(c2cccc(-c3cncnc3)c2)[NH+]=C(N)c2c(F)cccc2O1,C[C@@]1(c2cccc(-c3cnc[nH+]c3)c2)N=C(N)c2c(F)cccc2O1	C[C@@]1(c2cccc(-c3cncnc3)c2)N=C(N)c2c(F)cccc2O1	mol21083	CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2c(F)cccc2O1