pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.36	Baltruschat ChEMBL	1	0	CCN(CC)CCS/C(=N\O)c1[nH+]c(-c2ccccc2)no1,CC[NH+](CC)CCS/C(=N\O)c1nc(-c2ccccc2)no1	CC[NH+](CC)CCS/C(=N\[O-])c1nc(-c2ccccc2)no1,CCN(CC)CCS/C(=N\O)c1nc(-c2ccccc2)no1	mol20091	CCN(CC)CCS/C(=N\O)c1nc(-c2ccccc2)no1
6.32	Baltruschat ChEMBL	1	0	CCN(CC)CCS/C(=N\O)c1[nH+]c(-c2ccccc2)no1,CC[NH+](CC)CCS/C(=N\O)c1nc(-c2ccccc2)no1	CC[NH+](CC)CCS/C(=N\[O-])c1nc(-c2ccccc2)no1,CCN(CC)CCS/C(=N\O)c1nc(-c2ccccc2)no1	mol20091	CCN(CC)CCS/C(=N\O)c1nc(-c2ccccc2)no1