pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.26	AttenGpKa training set	1	0	Clc1ccc(C2=C[C@@H]3CC[C@H]2[NH2+]3)cn1	Clc1ccc(C2=C[C@@H]3CC[C@H]2N3)cn1	mol24630	Clc1ccc(C2=CC3CCC2N3)cn1
1.79	AttenGpKa training set	2	1	Clc1ccc(C2=C[C@@H]3CC[C@H]2[NH2+]3)c[nH+]1	Clc1ccc(C2=C[C@@H]3CC[C@H]2[NH2+]3)cn1	mol24630	Clc1ccc(C2=CC3CCC2N3)cn1