pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.13	AttenGpKa training set	1	0	CC/N=C1/C=C([NH2+]CC)CC(C)(C)C1,CCNC1=C/C(=[NH+]/CC)CC(C)(C)C1	CC/N=C1/C=C(NCC)CC(C)(C)C1	mol31210	CC/N=C1/C=C(NCC)CC(C)(C)C1