pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.321	IUPAC digitized pKa	1	0	CC1=[NH+]C[C@H](C)S1	CC1=NC[C@H](C)S1	mol7556	CC1=NCC(C)S1
5.256	IUPAC digitized pKa	1	0	CC1=[NH+]C[C@H](C)S1	CC1=NC[C@H](C)S1	mol7556	CC1=NCC(C)S1
5.191	IUPAC digitized pKa	1	0	CC1=[NH+]C[C@H](C)S1	CC1=NC[C@H](C)S1	mol7556	CC1=NCC(C)S1