pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Baltruschat ChEMBL	0	-1	Cc1[nH]c(C(=O)NC2CC[NH+](c3ncc(C(=O)[O-])s3)CC2)c(Cl)c1Cl,Cc1[nH]c(C(=O)NC2CCN(c3ncc(C(=O)O)s3)CC2)c(Cl)c1Cl	Cc1[nH]c(C(=O)NC2CCN(c3ncc(C(=O)[O-])s3)CC2)c(Cl)c1Cl	mol21121	Cc1[nH]c(C(=O)NC2CCN(c3ncc(C(=O)O)s3)CC2)c(Cl)c1Cl