pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	AttenGpKa training set	1	0	CC(C)NC1=N[C@@H](ON2CCCCC2=O)NC(NC2CC2)=[NH+]1,CC(C)NC1=[NH+][C@@H](ON2CCCCC2=O)NC(NC2CC2)=N1	CC(C)NC1=N[C@@H](ON2CCCCC2=O)NC(NC2CC2)=N1	mol25849	CC(C)NC1=NC(ON2CCCCC2=O)NC(NC2CC2)=N1