pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.42	Datawarrior	0	-1	N#Cc1ccc(C(=O)S)cc1	N#Cc1ccc(C(=O)[S-])cc1	mol14256	N#Cc1ccc(C(=O)S)cc1
1.43	AttenGpKa training set	0	-1	N#Cc1ccc(C(=O)S)cc1	N#Cc1ccc(C(=O)[S-])cc1	mol14256	N#Cc1ccc(C(=O)S)cc1