pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	1	0	N=c1n(CCCCCCCCCCCCn2c(=[NH2+])n(Cc3ccccc3)c3ccccc32)c2ccccc2n1Cc1ccccc1	N=c1n(CCCCCCCCCCCCn2c(=N)n(Cc3ccccc3)c3ccccc32)c2ccccc2n1Cc1ccccc1	mol16794	N=c1n(CCCCCCCCCCCCn2c(=N)n(Cc3ccccc3)c3ccccc32)c2ccccc2n1Cc1ccccc1