pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.73	IUPAC digitized pKa	1	0	CSc1ccnc(N)[nH+]1,CSc1cc[nH+]c(N)n1,CSc1ccnc([NH3+])n1	CSc1ccnc(N)n1	mol7105	CSc1ccnc(N)n1
4.73000001907349	QSARToolbox	1	0	CSc1ccnc(N)[nH+]1,CSc1cc[nH+]c(N)n1,CSc1ccnc([NH3+])n1	CSc1ccnc(N)n1	mol7105	CSc1ccnc(N)n1
4.75	AttenGpKa training set	1	0	CSc1ccnc(N)[nH+]1,CSc1cc[nH+]c(N)n1,CSc1ccnc([NH3+])n1	CSc1ccnc(N)n1	mol7105	CSc1ccnc(N)n1