pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Baltruschat ChEMBL	1	0	CCc1nc(N)[nH+]c(N)c1-c1ccc2c(c1)N(CCCOC)CCC2,CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2,CCc1nc(N)nc(N)c1-c1ccc2c(c1)[NH+](CCCOC)CCC2,CCc1nc(N)nc([NH3+])c1-c1ccc2c(c1)N(CCCOC)CCC2,CCc1nc([NH3+])nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2	CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2	mol18987	CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2