pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.29	IUPAC digitized pKa	1	0	C=CC[NH2+]CC=C	C=CCNCC=C	mol902	C=CCNCC=C
9.35	Datawarrior	1	0	C=CC[NH2+]CC=C	C=CCNCC=C	mol902	C=CCNCC=C
9.3500004	OCHEM	1	0	C=CC[NH2+]CC=C	C=CCNCC=C	mol902	C=CCNCC=C
9.28999996185303	QSARToolbox	1	0	C=CC[NH2+]CC=C	C=CCNCC=C	mol902	C=CCNCC=C
9.42000007629395	QSARToolbox	1	0	C=CC[NH2+]CC=C	C=CCNCC=C	mol902	C=CCNCC=C