pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Datawarrior	0	-1	CCCc1c(C)[nH]n(C2CCN(C)CC2)c1=O	CCCc1c(C)[n-]n(C2CCN(C)CC2)c1=O	mol15222	CCCc1c(C)[nH]n(C2CCN(C)CC2)c1=O
9.1999998	OCHEM	0	-1	CCCc1c(C)[nH]n(C2CCN(C)CC2)c1=O	CCCc1c(C)[n-]n(C2CCN(C)CC2)c1=O	mol15222	CCCc1c(C)[nH]n(C2CCN(C)CC2)c1=O
7.18	Datawarrior	1	0	CCCc1c(C)[nH]n(C2CC[NH+](C)CC2)c1=O	CCCc1c(C)[nH]n(C2CCN(C)CC2)c1=O	mol15222	CCCc1c(C)[nH]n(C2CCN(C)CC2)c1=O
7.1799998	OCHEM	1	0	CCCc1c(C)[nH]n(C2CC[NH+](C)CC2)c1=O	CCCc1c(C)[nH]n(C2CCN(C)CC2)c1=O	mol15222	CCCc1c(C)[nH]n(C2CCN(C)CC2)c1=O