pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.49	Baltruschat ChEMBL	2	1	C[NH+](C)CCNC(=O)c1cccc2c(-c3ccccc3)c3ccccc3[nH+]c12	CN(C)CCNC(=O)c1cccc2c(-c3ccccc3)c3ccccc3[nH+]c12,C[NH+](C)CCNC(=O)c1cccc2c(-c3ccccc3)c3ccccc3nc12	mol17992	CN(C)CCNC(=O)c1cccc2c(-c3ccccc3)c3ccccc3nc12