pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.58	OCHEM	1	0	CC#C[C@@H](O)c1c(C)[nH+]c2c3c(c(C(=O)N(C)C)cn12)CC[C@H](c1ccccc1)O3	CC#C[C@@H](O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@H](c1ccccc1)O3	mol18147	CC#CC(O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CCC(c1ccccc1)O3