pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.1	AttenGpKa training set	0	-1	CCN(CC)Cc1nc2ccccc2[nH]1	CCN(CC)Cc1nc2ccccc2[n-]1	mol26503	CCN(CC)Cc1nc2ccccc2[nH]1
3.0	AttenGpKa training set	2	1	CC[NH+](CC)Cc1[nH]c2ccccc2[nH+]1	CCN(CC)Cc1[nH]c2ccccc2[nH+]1,CC[NH+](CC)Cc1nc2ccccc2[nH]1	mol26503	CCN(CC)Cc1nc2ccccc2[nH]1