pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.25	Datawarrior	1	0	c1ccc2c(c1)CC[C@H]2[NH+](c1ccc2ccccc2c1)[C@H]1CCc2ccccc21	c1ccc2c(c1)CC[C@H]2N(c1ccc2ccccc2c1)[C@H]1CCc2ccccc21	mol14403	c1ccc2c(c1)CCC2N(c1ccc2ccccc2c1)C1CCc2ccccc21