pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.95	OCHEM	1	0	Brc1cccc(Br)c1[NH+]=C1NCCN1	Brc1cccc(Br)c1N=C1NCCN1	mol17914	Brc1cccc(Br)c1N=C1NCCN1
7.8	OCHEM	1	0	Brc1cccc(Br)c1[NH+]=C1NCCN1	Brc1cccc(Br)c1N=C1NCCN1	mol17914	Brc1cccc(Br)c1N=C1NCCN1
8.0	AttenGpKa training set	1	0	Brc1cccc(Br)c1[NH+]=C1NCCN1	Brc1cccc(Br)c1N=C1NCCN1	mol17914	Brc1cccc(Br)c1N=C1NCCN1