pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.11	Datawarrior	1	0	CC[NH+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1C	CCN(CC)[C@@H](C)C(=O)Nc1c(C)cccc1C	mol14867	CCN(CC)C(C)C(=O)Nc1c(C)cccc1C
7.93	OCHEM	1	0	CC[NH+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1C	CCN(CC)[C@@H](C)C(=O)Nc1c(C)cccc1C	mol14867	CCN(CC)C(C)C(=O)Nc1c(C)cccc1C
8.1099997	OCHEM	1	0	CC[NH+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1C	CCN(CC)[C@@H](C)C(=O)Nc1c(C)cccc1C	mol14867	CCN(CC)C(C)C(=O)Nc1c(C)cccc1C
8.12	Baltruschat ChEMBL	1	0	CC[NH+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1C	CCN(CC)[C@@H](C)C(=O)Nc1c(C)cccc1C	mol14867	CCN(CC)C(C)C(=O)Nc1c(C)cccc1C