pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	AttenGpKa training set	0	-1	NS(=O)(=O)c1cc2c(cc1Cl)N[C@H]([C@@H]1C[C@H]3C=C[C@@H]1C3)NS2(=O)=O	[NH-]S(=O)(=O)c1cc2c(cc1Cl)N[C@H]([C@@H]1C[C@H]3C=C[C@@H]1C3)NS2(=O)=O,NS(=O)(=O)c1cc2c(cc1Cl)N[C@H]([C@@H]1C[C@H]3C=C[C@@H]1C3)[N-]S2(=O)=O	mol29993	NS(=O)(=O)c1cc2c(cc1Cl)NC(C1C[C@H]3C=C[C@@H]1C3)NS2(=O)=O