pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.57	OCHEM	1	0	CCOc1ccc(NC(=O)c2cn3c(C)c(C)[nH+]c3c3c2CC[C@@H](c2ccccc2)O3)cc1	CCOc1ccc(NC(=O)c2cn3c(C)c(C)nc3c3c2CC[C@@H](c2ccccc2)O3)cc1	mol18156	CCOc1ccc(NC(=O)c2cn3c(C)c(C)nc3c3c2CCC(c2ccccc2)O3)cc1