pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.82	Datawarrior	0	-1	O=C(O)CCCc1c[nH]c2ccccc12	O=C([O-])CCCc1c[nH]c2ccccc12	mol15757	O=C(O)CCCc1c[nH]c2ccccc12
4.8200002	OCHEM	0	-1	O=C(O)CCCc1c[nH]c2ccccc12	O=C([O-])CCCc1c[nH]c2ccccc12	mol15757	O=C(O)CCCc1c[nH]c2ccccc12
4.69999980926514	QSARToolbox	0	-1	O=C(O)CCCc1c[nH]c2ccccc12	O=C([O-])CCCc1c[nH]c2ccccc12	mol15757	O=C(O)CCCc1c[nH]c2ccccc12
6.15000009536743	QSARToolbox	0	-1	O=C(O)CCCc1c[nH]c2ccccc12	O=C([O-])CCCc1c[nH]c2ccccc12	mol15757	O=C(O)CCCc1c[nH]c2ccccc12