pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.32	AttenGpKa training set	1	0	C=C(C)CCc1nc2nc[nH]c2c(N)[nH+]1,C=C(C)CCc1nc([NH3+])c2[nH]cnc2n1,C=C(C)CCc1nc(N)c2[nH]cnc2[nH+]1,C=C(C)CCc1nc(N)c2[nH]c[nH+]c2n1	C=C(C)CCc1nc(N)c2[nH]cnc2n1	mol29575	C=C(C)CCc1nc(N)c2[nH]cnc2n1