pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.97	Datawarrior	0	-1	S=C(S)N1CCCC1	S=C([S-])N1CCCC1	mol9441	S=C(S)N1CCCC1
3.56	AttenGpKa training set	0	-1	S=C(S)N1CCCC1	S=C([S-])N1CCCC1	mol9441	S=C(S)N1CCCC1