pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	IUPAC digitized pKa	2	1	CN(C)c1ccc2[nH+]c3ccc(=[N+](C)C)cc-3sc2c1,C[N+](C)=c1ccc2nc3ccc([NH+](C)C)cc3sc-2c1	CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1	mol5754	CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1
0.0	Baltruschat ChEMBL	3	2	C[N+](C)=c1ccc2[nH+]c3ccc([NH+](C)C)cc3sc-2c1	CN(C)c1ccc2[nH+]c3ccc(=[N+](C)C)cc-3sc2c1,C[N+](C)=c1ccc2nc3ccc([NH+](C)C)cc3sc-2c1	mol5754	CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1