pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.98999977111816	QSARToolbox	1	0	C(=[NH+]/Nc1ccc2ccccc2n1)\c1ccccn1,C(=N/Nc1ccc2ccccc2n1)\c1cccc[nH+]1,C(=N/Nc1ccc2ccccc2[nH+]1)\c1ccccn1,C(=N/[NH2+]c1ccc2ccccc2n1)\c1ccccn1	C(=N/Nc1ccc2ccccc2n1)\c1ccccn1	mol36472	C(=N/Nc1ccc2ccccc2n1)\c1ccccn1
2.75999999046326	QSARToolbox	2	1	C(=N/Nc1ccc2ccccc2[nH+]1)\c1cccc[nH+]1,C(=[NH+]/Nc1ccc2ccccc2n1)\c1cccc[nH+]1,C(=N/[NH2+]c1ccc2ccccc2n1)\c1cccc[nH+]1,C(=[NH+]/[NH2+]c1ccc2ccccc2n1)\c1ccccn1,C(=N/[NH2+]c1ccc2ccccc2[nH+]1)\c1ccccn1	C(=[NH+]/Nc1ccc2ccccc2n1)\c1ccccn1,C(=N/Nc1ccc2ccccc2n1)\c1cccc[nH+]1,C(=N/Nc1ccc2ccccc2[nH+]1)\c1ccccn1,C(=N/[NH2+]c1ccc2ccccc2n1)\c1ccccn1	mol36472	C(=N/Nc1ccc2ccccc2n1)\c1ccccn1