pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	OCHEM	1	0	[NH3+]c1c2ccccc2nc2c(C(=O)NCCNCCO)cccc12,Nc1c2ccccc2[nH+]c2c(C(=O)NCCNCCO)cccc12,Nc1c2ccccc2nc2c(C(=O)NCC[NH2+]CCO)cccc12	Nc1c2ccccc2nc2c(C(=O)NCCNCCO)cccc12	mol18313	Nc1c2ccccc2nc2c(C(=O)NCCNCCO)cccc12