pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	OCHEM	1	0	FC1(Cc2ccccc2)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	mol290	FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1