pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.0	QSARToolbox	0	-1	O=C(NCCCCO)C(=S)NCCCCO	O=C(NCCCCO)C(=S)[N-]CCCCO,O=C([N-]CCCCO)C(=S)NCCCCO	mol34342	O=C(NCCCCO)C(=S)NCCCCO
12.0200004577637	QSARToolbox	0	-1	O=C(NCCCCO)C(=S)NCCCCO	O=C(NCCCCO)C(=S)[N-]CCCCO,O=C([N-]CCCCO)C(=S)NCCCCO	mol34342	O=C(NCCCCO)C(=S)NCCCCO