pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.56	OCHEM	1	0	C=C[C@H]1C[NH+]2CC[C@@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	mol31673	C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12
8.2600002	OCHEM	1	0	C=C[C@H]1C[NH+]2CC[C@@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	mol31673	C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12