pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	IUPAC digitized pKa	1	0	CS[C@@]1(N(C)C)Nc2c(ccc3c2CCCC3)[NH2+]1,CS[C@]1([NH+](C)C)Nc2ccc3c(c2N1)CCCC3,CS[C@]1(N(C)C)Nc2ccc3c(c2[NH2+]1)CCCC3	CS[C@]1(N(C)C)Nc2ccc3c(c2N1)CCCC3	mol5052	CSC1(N(C)C)Nc2ccc3c(c2N1)CCCC3