pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Datawarrior	1	0	Cc1cc(C)n(Cc2cc(C)[nH][nH+]2)n1,Cc1cc(Cn2[nH+]c(C)cc2C)n[nH]1	Cc1cc(C)n(Cc2cc(C)[nH]n2)n1	mol13363	Cc1cc(C)n(Cc2cc(C)[nH]n2)n1
1.2	Datawarrior	2	1	Cc1cc(Cn2[nH+]c(C)cc2C)[nH+][nH]1	Cc1cc(C)n(Cc2cc(C)[nH][nH+]2)n1,Cc1cc(Cn2[nH+]c(C)cc2C)n[nH]1	mol13363	Cc1cc(C)n(Cc2cc(C)[nH]n2)n1