pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.94	Datawarrior	-1	-2	[O-]c1c([C@H](Nc2nc3ccccc3s2)c2ccccn2)ccc2cccnc12	Oc1c([C-]([N-]c2nc3ccccc3s2)c2ccccn2)ccc2cccnc12	mol14365	Oc1c(C(Nc2nc3ccccc3s2)c2ccccn2)ccc2cccnc12