pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Baltruschat ChEMBL	1	0	N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCC[NH+]4CCCCC4)cc2-3)cn1	N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCN4CCCCC4)cc2-3)cn1	mol19082	N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCN4CCCCC4)cc2-3)cn1