pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6500001	OCHEM	1	0	C=C[C@@]1(O)C[NH+]2CC[C@H]1C[C@@H]2[C@H](O)c1cc(O)nc2ccccc12	C=C[C@@]1(O)CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(O)nc2ccccc12	mol32372	C=CC1(O)CN2CCC1CC2C(O)c1cc(O)nc2ccccc12
2.76	OCHEM	2	1	C=C[C@@]1(O)C[NH+]2CC[C@H]1C[C@@H]2[C@H](O)c1cc(O)[nH+]c2ccccc12,C=C[C@@]1(O)C[NH+]2CC[C@H]1C[C@@H]2[C@H](O)c1cc([OH2+])nc2ccccc12,C=C[C@@]1(O)C[NH+]2CC[C@H]1C[C@@H]2[C@H]([OH2+])c1cc(O)nc2ccccc12,C=C[C@@]1([OH2+])C[NH+]2CC[C@H]1C[C@@H]2[C@H](O)c1cc(O)nc2ccccc12	C=C[C@@]1(O)C[NH+]2CC[C@H]1C[C@@H]2[C@H](O)c1cc(O)nc2ccccc12	mol32372	C=CC1(O)CN2CCC1CC2C(O)c1cc(O)nc2ccccc12