pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	OCHEM	1	0	NCCNC(=O)c1cccc2c(N)c3ccccc3[nH+]c12,Nc1c2ccccc2nc2c(C(=O)NCC[NH3+])cccc12,NCCNC(=O)c1cccc2c([NH3+])c3ccccc3nc12	NCCNC(=O)c1cccc2c(N)c3ccccc3nc12	mol18315	NCCNC(=O)c1cccc2c(N)c3ccccc3nc12