pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.93	AttenGpKa training set	0	-1	C=C[C@H](CC(C)(C)C(C)(C)C)c1ccc2cccnc2c1O	C=C[C@H](CC(C)(C)C(C)(C)C)c1ccc2cccnc2c1[O-]	mol26173	C=CC(CC(C)(C)C(C)(C)C)c1ccc2cccnc2c1O
4.61	AttenGpKa training set	1	0	C=C[C@H](CC(C)(C)C(C)(C)C)c1ccc2ccc[nH+]c2c1O	C=C[C@H](CC(C)(C)C(C)(C)C)c1ccc2cccnc2c1O	mol26173	C=CC(CC(C)(C)C(C)(C)C)c1ccc2cccnc2c1O