pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.31	Datawarrior	1	0	CC1=CSC2=[NH+]CCCN12	CC1=CSC2=NCCCN12	mol13167	CC1=CSC2=NCCCN12
10.3100004196167	QSARToolbox	1	0	CC1=CSC2=[NH+]CCCN12	CC1=CSC2=NCCCN12	mol13167	CC1=CSC2=NCCCN12