pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	Baltruschat ChEMBL	0	-1	O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2c[nH]c(=O)[nH]c2=O)no1)NO	O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2c[n-]c(=O)[nH]c2=O)no1)NO,O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2c[nH]c(=O)[n-]c2=O)no1)NO,O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2c[nH]c(=O)[nH]c2=O)no1)N[O-]	mol19356	O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2c[nH]c(=O)[nH]c2=O)no1)NO