pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	Novartis	1	0	Cc1cc(C)nc([NH+]2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1,Cc1cc(C)[nH+]c(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1,Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)[nH+]c4-c4ccccc4)C3=O)CC2)n1,Cc1cc(C)nc(N2CCC3(CCCN(Cc4[nH+]n(C)nc4-c4ccccc4)C3=O)CC2)n1	Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1	mol2903	Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1