pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.74	Baltruschat ChEMBL	3	2	C[NH+](C)CCNC(=[OH+])C1=[NH+]c2cccc3cccc(c23)N1	C[NH+](C)CCNC(=O)C1=[NH+]c2cccc3cccc(c23)N1	mol17646	CN(C)CCNC(=O)C1=Nc2cccc3cccc(c23)N1