pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.19	Datawarrior	1	0	Nc1[nH+]cnc2c1ncn2C1CCCCC1,[NH3+]c1ncnc2c1ncn2C1CCCCC1,Nc1ncnc2c1[nH+]cn2C1CCCCC1,Nc1nc[nH+]c2c1ncn2C1CCCCC1	Nc1ncnc2c1ncn2C1CCCCC1	mol14514	Nc1ncnc2c1ncn2C1CCCCC1
4.1900001	OCHEM	1	0	Nc1[nH+]cnc2c1ncn2C1CCCCC1,[NH3+]c1ncnc2c1ncn2C1CCCCC1,Nc1ncnc2c1[nH+]cn2C1CCCCC1,Nc1nc[nH+]c2c1ncn2C1CCCCC1	Nc1ncnc2c1ncn2C1CCCCC1	mol14514	Nc1ncnc2c1ncn2C1CCCCC1