pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.15	Datawarrior	0	-1	Sc1ncc2nc[nH]c2n1	Sc1ncc2nc[n-]c2n1,[S-]c1ncc2nc[nH]c2n1	mol13152	Sc1ncc2nc[nH]c2n1
7.1500001	OCHEM	0	-1	Sc1ncc2nc[nH]c2n1	Sc1ncc2nc[n-]c2n1,[S-]c1ncc2nc[nH]c2n1	mol13152	Sc1ncc2nc[nH]c2n1
0.5	Datawarrior	1	0	Sc1ncc2nc[nH]c2[nH+]1,Sc1ncc2[nH+]c[nH]c2n1,Sc1nc2[nH]cnc2c[nH+]1	Sc1ncc2nc[nH]c2n1	mol13152	Sc1ncc2nc[nH]c2n1
10.4	Datawarrior	-1	-2	Sc1ncc2nc[n-]c2n1,[S-]c1ncc2nc[nH]c2n1	[S-]c1ncc2nc[n-]c2n1	mol13152	Sc1ncc2nc[nH]c2n1