pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.0	Baltruschat ChEMBL	1	0	CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)[nH+]1,CCOP(=S)(OCC)Oc1cc(C)[nH+]c(C(C)C)n1	CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1	mol17587	CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1