pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.5	Baltruschat ChEMBL	1	0	NC(=S)N/[NH+]=C/c1ccco1	NC(=S)N/N=C/c1ccco1	mol20780	NC(=S)N/N=C/c1ccco1