pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Novartis	1	0	c1ccc(-c2[nH+]c3n(c2-c2ccccc2)CCS3)cc1	c1ccc(-c2nc3n(c2-c2ccccc2)CCS3)cc1	mol3034	c1ccc(-c2nc3n(c2-c2ccccc2)CCS3)cc1