pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.4	OCHEM	0	-1	CC1=NN(C(=O)CCS)[C@H](C(=O)O)S1	CC1=NN(C(=O)CCS)[C@H](C(=O)[O-])S1	mol589	CC1=NN(C(=O)CCS)[C@H](C(=O)O)S1