pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.62999999523163	QSARToolbox	2	1	Cc1cc[nH+]c(N=Cc2ccc([NH+](C)C)cc2)n1,Cc1ccnc(N=Cc2ccc([NH+](C)C)cc2)[nH+]1,Cc1ccnc([NH+]=Cc2ccc([NH+](C)C)cc2)n1	Cc1cc[nH+]c(N=Cc2ccc(N(C)C)cc2)n1,Cc1ccnc([NH+]=Cc2ccc(N(C)C)cc2)n1,Cc1ccnc(N=Cc2ccc([NH+](C)C)cc2)n1,Cc1ccnc(N=Cc2ccc(N(C)C)cc2)[nH+]1	mol36396	Cc1ccnc(N=Cc2ccc(N(C)C)cc2)n1