pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.8	Datawarrior	1	0	C=CCc1c(C)[nH][nH+]c1O	C=CCc1c(O)n[nH]c1C	mol12985	C=CCc1c(O)n[nH]c1C