pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	Baltruschat ChEMBL	1	0	C[C@@]1(c2cccc(-c3cncnc3)c2)[NH+]=C(N)c2ccccc2S1	C[C@@]1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2S1	mol21077	CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2S1