pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Baltruschat ChEMBL	1	0	CCCN(CCC)c1cc(C)[nH+]c2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CCCN(CCC)c1cc(C)nc2c(-c3c[nH+]c(N(C)C)cc3C)c(C)nn12,CCC[NH+](CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CCCN(CCC)c1cc(C)nc2c(-c3cnc([NH+](C)C)cc3C)c(C)nn12	CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12	mol16158	CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12