pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.17	Datawarrior	1	0	CCOc1ccc2[nH]c(C(C)C)[nH+]c2c1	CCOc1ccc2[nH]c(C(C)C)nc2c1	mol15729	CCOc1ccc2[nH]c(C(C)C)nc2c1
6.1700001	OCHEM	1	0	CCOc1ccc2[nH]c(C(C)C)[nH+]c2c1	CCOc1ccc2[nH]c(C(C)C)nc2c1	mol15729	CCOc1ccc2[nH]c(C(C)C)nc2c1