pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Baltruschat ChEMBL	1	0	C[C@]1(c2cccc(-c3cncnc3)c2)[NH+]=C(N)CCS1,C[C@]1(c2cccc(-c3cnc[nH+]c3)c2)N=C(N)CCS1	C[C@]1(c2cccc(-c3cncnc3)c2)N=C(N)CCS1	mol21074	CC1(c2cccc(-c3cncnc3)c2)N=C(N)CCS1