pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.65	IUPAC digitized pKa	1	0	CC(C)N1CCC([NH2+]N)CC1,CC(C)[NH+]1CCC(NN)CC1,CC(C)N1CCC(N[NH3+])CC1	CC(C)N1CCC(NN)CC1	mol5807	CC(C)N1CCC(NN)CC1
9.6499996	OCHEM	1	0	CC(C)N1CCC([NH2+]N)CC1,CC(C)[NH+]1CCC(NN)CC1,CC(C)N1CCC(N[NH3+])CC1	CC(C)N1CCC(NN)CC1	mol5807	CC(C)N1CCC(NN)CC1
5.75	IUPAC digitized pKa	2	1	CC(C)N1CCC([NH2+][NH3+])CC1,CC(C)[NH+]1CCC(N[NH3+])CC1,CC(C)[NH+]1CCC([NH2+]N)CC1	CC(C)N1CCC([NH2+]N)CC1,CC(C)[NH+]1CCC(NN)CC1,CC(C)N1CCC(N[NH3+])CC1	mol5807	CC(C)N1CCC(NN)CC1