pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0600004	OCHEM	1	0	C[C@H](CCC[NH2+]Cc1ccccc1)[C@@H]1CC[C@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C	C[C@H](CCCNCc1ccccc1)[C@@H]1CC[C@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C	mol32708	CC(CCCNCc1ccccc1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C