pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.50999999046326	QSARToolbox	1	0	CN1C(=O)CSc2[nH+]cnc(N3CCCCC3)c21,CN1C(=O)CSc2ncnc([NH+]3CCCCC3)c21,CN1C(=O)CSc2nc[nH+]c(N3CCCCC3)c21	CN1C(=O)CSc2ncnc(N3CCCCC3)c21	mol36451	CN1C(=O)CSc2ncnc(N3CCCCC3)c21