pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.0	AttenGpKa training set	0	-1	O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1	O=C1CN=C(c2ccccn2)c2cc(Br)ccc2[N-]1	mol29842	O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1
2.9	AttenGpKa training set	2	1	O=C1C[NH+]=C(c2cccc[nH+]2)c2cc(Br)ccc2N1	O=C1CN=C(c2cccc[nH+]2)c2cc(Br)ccc2N1,O=C1C[NH+]=C(c2ccccn2)c2cc(Br)ccc2N1	mol29842	O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1