pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Datawarrior	1	0	C[NH+](C)CCC/N=C(\c1ccccc1)c1ccc2ccccc2c1,CN(C)CCC/[NH+]=C(\c1ccccc1)c1ccc2ccccc2c1	CN(C)CCC/N=C(\c1ccccc1)c1ccc2ccccc2c1	mol14628	CN(C)CCC/N=C(\c1ccccc1)c1ccc2ccccc2c1
5.1	Datawarrior	2	1	C[NH+](C)CCC/[NH+]=C(\c1ccccc1)c1ccc2ccccc2c1	C[NH+](C)CCC/N=C(\c1ccccc1)c1ccc2ccccc2c1,CN(C)CCC/[NH+]=C(\c1ccccc1)c1ccc2ccccc2c1	mol14628	CN(C)CCC/N=C(\c1ccccc1)c1ccc2ccccc2c1