pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.87	Baltruschat ChEMBL	1	0	Cc1cccc2c1CC[C@]21CCc2c(C(=O)N(C)C)cn3c(C)c(C)[nH+]c3c2O1	Cc1cccc2c1CC[C@]21CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1	mol18662	Cc1cccc2c1CCC21CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1