pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.16	SAMPL6	1	0	c1ccc(CSc2n[nH+]c(-c3ccncc3)o2)cc1,c1ccc(CSc2[nH+]nc(-c3ccncc3)o2)cc1,c1ccc(CSc2nnc(-c3cc[nH+]cc3)o2)cc1	c1ccc(CSc2nnc(-c3ccncc3)o2)cc1	SM17	c1ccc(CSc2nnc(-c3ccncc3)o2)cc1