pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	Baltruschat ChEMBL	1	0	O=C1Nc2cc(Br)ccc2C1=C1Nc2ccccc2/C1=N\OCCN1CC[NH2+]CC1,O=C1Nc2cc(Br)ccc2C1=C1[NH2+]c2ccccc2/C1=N\OCCN1CCNCC1,O=C1Nc2cc(Br)ccc2C1=C1Nc2ccccc2/C1=N\OCC[NH+]1CCNCC1	O=C1Nc2cc(Br)ccc2C1=C1Nc2ccccc2/C1=N\OCCN1CCNCC1	mol20005	O=C1Nc2cc(Br)ccc2C1=C1Nc2ccccc2/C1=N\OCCN1CCNCC1