pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Datawarrior	0	-1	Oc1nc(O)c2[nH]nnc2n1	Oc1nc(O)c2[n-]nnc2n1,[O-]c1nc(O)nc2nn[nH]c12,[O-]c1nc(O)c2[nH]nnc2n1	mol14029	Oc1nc(O)c2[nH]nnc2n1
9.3	Datawarrior	-1	-2	Oc1nc(O)c2[n-]nnc2n1,[O-]c1nc(O)nc2nn[nH]c12,[O-]c1nc(O)c2[nH]nnc2n1	[O-]c1nc(O)nc2nn[n-]c12,[O-]c1nc(O)c2[n-]nnc2n1	mol14029	Oc1nc(O)c2[nH]nnc2n1
9.3000002	OCHEM	-1	-2	Oc1nc(O)c2[n-]nnc2n1,[O-]c1nc(O)nc2nn[nH]c12,[O-]c1nc(O)c2[nH]nnc2n1	[O-]c1nc(O)nc2nn[n-]c12,[O-]c1nc(O)c2[n-]nnc2n1	mol14029	Oc1nc(O)c2[nH]nnc2n1