pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	Hunt	1	0	CC(C)[NH2+][C@H](C(C)C)[C@H](O)c1ccc(O)c(O)c1	CC(C)N[C@H](C(C)C)[C@H](O)c1ccc(O)c(O)c1,CC(C)[NH2+][C@H](C(C)C)[C@H](O)c1ccc(O)c([O-])c1,CC(C)[NH2+][C@H](C(C)C)[C@H](O)c1ccc([O-])c(O)c1	mol1133	CC(C)N[C@H](C(C)C)[C@H](O)c1ccc(O)c(O)c1