pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.43	AttenGpKa training set	0	-1	CCN(CC)c1ccc(-c2nc3ccccc3s2)c(O)c1	CCN(CC)c1ccc(-c2nc3ccccc3s2)c([O-])c1	mol26544	CCN(CC)c1ccc(-c2nc3ccccc3s2)c(O)c1
10.11	AttenGpKa training set	0	-1	CCN(CC)c1ccc(-c2nc3ccccc3s2)c(O)c1	CCN(CC)c1ccc(-c2nc3ccccc3s2)c([O-])c1	mol26544	CCN(CC)c1ccc(-c2nc3ccccc3s2)c(O)c1
3.56	AttenGpKa training set	1	0	CCN(CC)c1ccc(-c2[nH+]c3ccccc3s2)c(O)c1,CC[NH+](CC)c1ccc(-c2nc3ccccc3s2)c(O)c1	CCN(CC)c1ccc(-c2nc3ccccc3s2)c(O)c1	mol26544	CCN(CC)c1ccc(-c2nc3ccccc3s2)c(O)c1