pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.97	Baltruschat ChEMBL	1	0	C[NH2+]CC[C@H](Oc1cccc2ccccc12)c1cccs1	CNCC[C@H](Oc1cccc2ccccc12)c1cccs1	mol20864	CNCC[C@H](Oc1cccc2ccccc12)c1cccs1