pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	OCHEM	1	0	Cc1ccc(Cn2c([C@@H]3CNCCS3)[nH+]c3ccccc32)cc1C,Cc1ccc(Cn2c([C@@H]3C[NH2+]CCS3)nc3ccccc32)cc1C	Cc1ccc(Cn2c([C@@H]3CNCCS3)nc3ccccc32)cc1C	mol16106	Cc1ccc(Cn2c([C@@H]3CNCCS3)nc3ccccc32)cc1C