pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.64000010490417	QSARToolbox	2	1	C(=N/[NH2+]c1ccc2ccccc2[nH+]1)\c1nccc2ccccc12,C(=N/Nc1ccc2ccccc2[nH+]1)\c1[nH+]ccc2ccccc12,C(=[NH+]/Nc1ccc2ccccc2n1)\c1[nH+]ccc2ccccc12,C(=[NH+]/[NH2+]c1ccc2ccccc2n1)\c1nccc2ccccc12,C(=N/[NH2+]c1ccc2ccccc2n1)\c1[nH+]ccc2ccccc12	C(=N/Nc1ccc2ccccc2n1)\c1[nH+]ccc2ccccc12,C(=N/Nc1ccc2ccccc2[nH+]1)\c1nccc2ccccc12,C(=N/[NH2+]c1ccc2ccccc2n1)\c1nccc2ccccc12,C(=[NH+]/Nc1ccc2ccccc2n1)\c1nccc2ccccc12	mol36475	C(=N/Nc1ccc2ccccc2n1)\c1nccc2ccccc12