pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3	AttenGpKa training set	0	-1	N=C(N)NC[C@H]1COc2ccccc2O1	N=C([NH-])NC[C@H]1COc2ccccc2O1,[N-]=C(N)NC[C@H]1COc2ccccc2O1,N=C(N)[N-]C[C@H]1COc2ccccc2O1	mol29581	N=C(N)NCC1COc2ccccc2O1