pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.32	Baltruschat ChEMBL	0	-1	CCN(CC)Cc1ccc(O)c2ncccc12,CC[NH+](CC)Cc1ccc([O-])c2ncccc12	CCN(CC)Cc1ccc([O-])c2ncccc12	mol19467	CCN(CC)Cc1ccc(O)c2ncccc12
9.19	Baltruschat ChEMBL	0	-1	CCN(CC)Cc1ccc(O)c2ncccc12,CC[NH+](CC)Cc1ccc([O-])c2ncccc12	CCN(CC)Cc1ccc([O-])c2ncccc12	mol19467	CCN(CC)Cc1ccc(O)c2ncccc12
4.48	Baltruschat ChEMBL	2	1	CC[NH+](CC)Cc1ccc(O)c2[nH+]cccc12	CC[NH+](CC)Cc1ccc(O)c2ncccc12,CCN(CC)Cc1ccc(O)c2[nH+]cccc12	mol19467	CCN(CC)Cc1ccc(O)c2ncccc12