pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.76999998092651	QSARToolbox	1	0	C[C@H]1Sc2ncnc([NH+]3CCCCC3)c2NC1=O,C[C@H]1Sc2nc[nH+]c(N3CCCCC3)c2NC1=O,C[C@H]1Sc2[nH+]cnc(N3CCCCC3)c2NC1=O	C[C@H]1Sc2ncnc(N3CCCCC3)c2NC1=O	mol34971	CC1Sc2ncnc(N3CCCCC3)c2NC1=O