pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	Baltruschat ChEMBL	1	0	CCC(=O)Nc1cc(-c2c[nH+]cc(OC)c2)nc(-n2nc(C)cc2C)n1,CCC(=O)Nc1cc(-c2cncc(OC)c2)[nH+]c(-n2nc(C)cc2C)n1,CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)[nH+]1,CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2[nH+]c(C)cc2C)n1	CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1	mol19835	CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1