pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.71	Baltruschat ChEMBL	1	0	CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1CNc1cc[nH+]c2cc(Cl)ccc12,CN(Cc1ccc([NH+](C)C)cc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12,CN(C)c1ccc(C[NH+](C)Cc2ccccc2CNc2ccnc3cc(Cl)ccc23)cc1,CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1C[NH2+]c1ccnc2cc(Cl)ccc12	CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12	mol18999	CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12
7.4	Baltruschat ChEMBL	2	1	CN(C)c1ccc(C[NH+](C)Cc2ccccc2C[NH2+]c2ccnc3cc(Cl)ccc23)cc1,CN(C)c1ccc(C[NH+](C)Cc2ccccc2CNc2cc[nH+]c3cc(Cl)ccc23)cc1	CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1CNc1cc[nH+]c2cc(Cl)ccc12,CN(Cc1ccc([NH+](C)C)cc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12,CN(C)c1ccc(C[NH+](C)Cc2ccccc2CNc2ccnc3cc(Cl)ccc23)cc1,CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1C[NH2+]c1ccnc2cc(Cl)ccc12	mol18999	CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12