pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.84	Baltruschat ChEMBL	0	-1	N=C(N)N1[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12	[N-]=C(N)N1[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12	mol18925	N=C(N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12