pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.49	Datawarrior	1	0	C=C[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12	C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12	mol15069	C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12
6.26	Datawarrior	1	0	C=C[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12	C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12	mol15069	C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12