pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Baltruschat ChEMBL	1	0	COc1cccc(-c2cccc([C@]3(C)[NH+]=C(N)CCS3)c2)c1	COc1cccc(-c2cccc([C@]3(C)N=C(N)CCS3)c2)c1	mol21071	COc1cccc(-c2cccc(C3(C)N=C(N)CCS3)c2)c1