pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	Baltruschat ChEMBL	1	0	O=C(/C=C/c1ccc(C[NH+]2CCC[C@@H](c3c[nH]c4ccccc34)C2)cc1)NO	O=C(/C=C/c1ccc(C[NH+]2CCC[C@@H](c3c[nH]c4ccccc34)C2)cc1)N[O-],O=C(/C=C/c1ccc(CN2CCC[C@@H](c3c[nH]c4ccccc34)C2)cc1)NO	mol19964	O=C(/C=C/c1ccc(CN2CCCC(c3c[nH]c4ccccc34)C2)cc1)NO