pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.66	Baltruschat ChEMBL	0	-1	C[NH+](C)Cc1ccc([O-])c2ncccc12,CN(C)Cc1ccc(O)c2ncccc12	CN(C)Cc1ccc([O-])c2ncccc12	mol19466	CN(C)Cc1ccc(O)c2ncccc12
9.46	Baltruschat ChEMBL	0	-1	C[NH+](C)Cc1ccc([O-])c2ncccc12,CN(C)Cc1ccc(O)c2ncccc12	CN(C)Cc1ccc([O-])c2ncccc12	mol19466	CN(C)Cc1ccc(O)c2ncccc12
4.47	Baltruschat ChEMBL	2	1	C[NH+](C)Cc1ccc(O)c2[nH+]cccc12	C[NH+](C)Cc1ccc(O)c2ncccc12	mol19466	CN(C)Cc1ccc(O)c2ncccc12