pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	OCHEM	1	0	COC[C@H](N)CNc1c[nH+]c(C(N)=O)c(Nc2cc(C)cc(C)n2)c1,COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)[nH+]2)c1,COC[C@H](N)CNc1cnc(C(N)=O)c([NH2+]c2cc(C)cc(C)n2)c1,COC[C@H]([NH3+])CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1,COC[C@H](N)C[NH2+]c1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1	COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1	mol17172	COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1