pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.04	Datawarrior	1	0	OCCCCCc1cc[nH+]cc1	OCCCCCc1ccncc1	mol12682	OCCCCCc1ccncc1
6.03999996185303	QSARToolbox	1	0	OCCCCCc1cc[nH+]cc1	OCCCCCc1ccncc1	mol12682	OCCCCCc1ccncc1