pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.16	IUPAC digitized pKa	1	0	CNCC[NH2+]C	CNCCNC	mol3124	CNCCNC
10.89	IUPAC digitized pKa	1	0	CNCC[NH2+]C	CNCCNC	mol3124	CNCCNC
10.29	IUPAC digitized pKa	1	0	CNCC[NH2+]C	CNCCNC	mol3124	CNCCNC
9.88	IUPAC digitized pKa	1	0	CNCC[NH2+]C	CNCCNC	mol3124	CNCCNC
10.03	IUPAC digitized pKa	1	0	CNCC[NH2+]C	CNCCNC	mol3124	CNCCNC
10.11	Datawarrior	1	0	CNCC[NH2+]C	CNCCNC	mol3124	CNCCNC
9.9	OCHEM	1	0	CNCC[NH2+]C	CNCCNC	mol3124	CNCCNC
7.4	IUPAC digitized pKa	2	1	C[NH2+]CC[NH2+]C	CNCC[NH2+]C	mol3124	CNCCNC
8.3	IUPAC digitized pKa	2	1	C[NH2+]CC[NH2+]C	CNCC[NH2+]C	mol3124	CNCCNC
7.47	IUPAC digitized pKa	2	1	C[NH2+]CC[NH2+]C	CNCC[NH2+]C	mol3124	CNCCNC
7.01	IUPAC digitized pKa	2	1	C[NH2+]CC[NH2+]C	CNCC[NH2+]C	mol3124	CNCCNC
6.8	IUPAC digitized pKa	2	1	C[NH2+]CC[NH2+]C	CNCC[NH2+]C	mol3124	CNCCNC
7.29	Datawarrior	2	1	C[NH2+]CC[NH2+]C	CNCC[NH2+]C	mol3124	CNCCNC
7.7	OCHEM	2	1	C[NH2+]CC[NH2+]C	CNCC[NH2+]C	mol3124	CNCCNC