pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05000019073486	QSARToolbox	1	0	CSc1nc(N)c(C(=O)NC(=N)N)[nH+]c1Cl,CSc1nc(N)c(C(=O)NC(N)=[NH2+])nc1Cl,CSc1nc([NH3+])c(C(=O)NC(=N)N)nc1Cl	CSc1nc(N)c(C(=O)NC(=N)N)nc1Cl	mol29692	CSc1nc(N)c(C(=O)NC(=N)N)nc1Cl
8.05	AttenGpKa training set	1	0	CSc1nc(N)c(C(=O)NC(=N)N)[nH+]c1Cl,CSc1nc(N)c(C(=O)NC(N)=[NH2+])nc1Cl,CSc1nc([NH3+])c(C(=O)NC(=N)N)nc1Cl	CSc1nc(N)c(C(=O)NC(=N)N)nc1Cl	mol29692	CSc1nc(N)c(C(=O)NC(=N)N)nc1Cl