pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.15	OCHEM	1	0	Cc1cccc(C)c1OC[C@@H](C)[NH3+]	Cc1cccc(C)c1OC[C@@H](C)N	mol88	Cc1cccc(C)c1OCC(C)N
9.11	OCHEM	1	0	Cc1cccc(C)c1OC[C@@H](C)[NH3+]	Cc1cccc(C)c1OC[C@@H](C)N	mol88	Cc1cccc(C)c1OCC(C)N
9.14	OCHEM	1	0	Cc1cccc(C)c1OC[C@@H](C)[NH3+]	Cc1cccc(C)c1OC[C@@H](C)N	mol88	Cc1cccc(C)c1OCC(C)N
9.0	OCHEM	1	0	Cc1cccc(C)c1OC[C@@H](C)[NH3+]	Cc1cccc(C)c1OC[C@@H](C)N	mol88	Cc1cccc(C)c1OCC(C)N
9.2	Baltruschat ChEMBL	1	0	Cc1cccc(C)c1OC[C@@H](C)[NH3+]	Cc1cccc(C)c1OC[C@@H](C)N	mol88	Cc1cccc(C)c1OCC(C)N
9.1	AttenGpKa training set	1	0	Cc1cccc(C)c1OC[C@@H](C)[NH3+]	Cc1cccc(C)c1OC[C@@H](C)N	mol88	Cc1cccc(C)c1OCC(C)N