pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	Baltruschat ChEMBL	1	0	CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(COC(=O)N3CC[NH+](C)CC3)c2cn1,CCNC(=O)Nc1cc2c(-c3cc[nH+]c(C)c3)ccc(COC(=O)N3CCN(C)CC3)c2cn1	CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(COC(=O)N3CCN(C)CC3)c2cn1	mol17398	CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(COC(=O)N3CCN(C)CC3)c2cn1