pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.4	AttenGpKa training set	1	0	C[NH2+]CCC(=N)N,CNCCC(N)=[NH2+]	CNCCC(=N)N	mol28002	CNCCC(=N)N
7.73000001907349	QSARToolbox	2	1	C[NH2+]CCC(N)=[NH2+]	C[NH2+]CCC(=N)N,CNCCC(N)=[NH2+]	mol28002	CNCCC(=N)N
7.73	AttenGpKa training set	2	1	C[NH2+]CCC(N)=[NH2+]	C[NH2+]CCC(=N)N,CNCCC(N)=[NH2+]	mol28002	CNCCC(=N)N