pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	Baltruschat ChEMBL	1	0	CCn1cc[nH+]c1-c1c[nH]c2c(C(=O)Nc3ccn(C)n3)nc(C)cc12,CCn1ccnc1-c1c[nH]c2c(C(=O)Nc3ccn(C)n3)[nH+]c(C)cc12,CCn1ccnc1-c1c[nH]c2c(C(=O)Nc3ccn(C)[nH+]3)nc(C)cc12	CCn1ccnc1-c1c[nH]c2c(C(=O)Nc3ccn(C)n3)nc(C)cc12	mol16824	CCn1ccnc1-c1c[nH]c2c(C(=O)Nc3ccn(C)n3)nc(C)cc12