pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.37	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1cccc(Br)c1	CC(C)NC[C@H](O)c1cccc(Br)c1	mol1496	CC(C)NC[C@H](O)c1cccc(Br)c1