pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	OCHEM	1	0	N#Cc1ccc([C@H]2[C@H]3C(=O)N(CC4=CC[C@H](F)C=C4)C(=O)[C@H]3[C@@H]3CCC[NH+]32)cc1	N#Cc1ccc([C@H]2[C@H]3C(=O)N(CC4=CC[C@H](F)C=C4)C(=O)[C@H]3[C@@H]3CCCN32)cc1	mol277	N#Cc1ccc([C@H]2[C@H]3C(=O)N(CC4=CCC(F)C=C4)C(=O)[C@H]3[C@@H]3CCCN32)cc1