pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	Baltruschat ChEMBL	1	0	C[NH+](Cc1ccccc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12,CN(Cc1ccccc1)Cc1ccccc1C[NH2+]c1ccnc2cc(Cl)ccc12,CN(Cc1ccccc1)Cc1ccccc1CNc1cc[nH+]c2cc(Cl)ccc12	CN(Cc1ccccc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12	mol19008	CN(Cc1ccccc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12
7.57	Baltruschat ChEMBL	2	1	C[NH+](Cc1ccccc1)Cc1ccccc1CNc1cc[nH+]c2cc(Cl)ccc12,C[NH+](Cc1ccccc1)Cc1ccccc1C[NH2+]c1ccnc2cc(Cl)ccc12	C[NH+](Cc1ccccc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12,CN(Cc1ccccc1)Cc1ccccc1C[NH2+]c1ccnc2cc(Cl)ccc12,CN(Cc1ccccc1)Cc1ccccc1CNc1cc[nH+]c2cc(Cl)ccc12	mol19008	CN(Cc1ccccc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12