pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.57999992370606	QSARToolbox	1	0	C/C(=C(\CCO)SSCCC(C)C)N(C=O)Cc1cnc(C)nc1[NH3+],C/C(=C(\CCO)SSCCC(C)C)N(C=O)Cc1cnc(C)[nH+]c1N,C/C(=C(\CC[OH2+])SSCCC(C)C)N(C=O)Cc1cnc(C)nc1N,C/C(=C(\CCO)SSCCC(C)C)N(C=O)Cc1c[nH+]c(C)nc1N	C/C(=C(\CCO)SSCCC(C)C)N(C=O)Cc1cnc(C)nc1N	mol34459	C/C(=C(\CCO)SSCCC(C)C)N(C=O)Cc1cnc(C)nc1N