pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	Baltruschat ChEMBL	1	0	Cc1c[nH]c2c(Nc3cccc(Cl)c3)[nH+]cc(C(=O)N3CCOCC3)c12,Cc1c[nH]c2c([NH2+]c3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12	Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12	mol18921	Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12