pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.18	Datawarrior	1	0	Cc1n[nH]c2c([NH3+])cccc12,Cc1[nH+][nH]c2c(N)cccc12	Cc1n[nH]c2c(N)cccc12	mol14031	Cc1n[nH]c2c(N)cccc12
3.1800001	OCHEM	1	0	Cc1n[nH]c2c([NH3+])cccc12,Cc1[nH+][nH]c2c(N)cccc12	Cc1n[nH]c2c(N)cccc12	mol14031	Cc1n[nH]c2c(N)cccc12