pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05	AttenGpKa training set	1	0	COc1cc(N)c2c(c1OC)[C@]13CC[NH+](C)[C@H](C2)[C@@H]1C=C[C@H](O)C3	COc1cc(N)c2c(c1OC)[C@]13CCN(C)[C@H](C2)[C@@H]1C=C[C@H](O)C3	mol24184	COc1cc(N)c2c(c1OC)[C@]13CCN(C)[C@H](C2)[C@@H]1C=C[C@H](O)C3