pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	Baltruschat ChEMBL	1	0	C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)[nH+]2)c(OC)cc1N1CC(N(C)C)C1,C=CC(=O)Nc1cc([NH2+]c2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC(N(C)C)C1,C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC([NH+](C)C)C1,C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1[NH+]1CC(N(C)C)C1,C=CC(=O)Nc1cc(Nc2nc(-c3cnn4ccccc34)c(Cl)c[nH+]2)c(OC)cc1N1CC(N(C)C)C1	C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC(N(C)C)C1	mol16985	C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC(N(C)C)C1