pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	AttenGpKa training set	0	-1	Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)O)O2	Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)[O-])O2	mol29662	Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)O2
11.97	AttenGpKa training set	-1	-2	Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)[O-])O2	Cc1c(C)c2c(c(C)c1[O-])CC[C@](C)(C(=O)[O-])O2	mol29662	Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)O2