pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.95	IUPAC digitized pKa	1	0	Cc1ccc([C@H]2CCC[NH2+]2)cc1	Cc1ccc([C@H]2CCCN2)cc1	mol3893	Cc1ccc(C2CCCN2)cc1
9.99	Datawarrior	1	0	Cc1ccc([C@H]2CCC[NH2+]2)cc1	Cc1ccc([C@H]2CCCN2)cc1	mol3893	Cc1ccc(C2CCCN2)cc1
9.9899998	OCHEM	1	0	Cc1ccc([C@H]2CCC[NH2+]2)cc1	Cc1ccc([C@H]2CCCN2)cc1	mol3893	Cc1ccc(C2CCCN2)cc1
10.01	AttenGpKa training set	1	0	Cc1ccc([C@H]2CCC[NH2+]2)cc1	Cc1ccc([C@H]2CCCN2)cc1	mol3893	Cc1ccc(C2CCCN2)cc1