"18" . "341.1729" . "784.424" . "InChIKey=QBDVVYNLLXGUGN-XGTBZJOHSA-N" . "InChIKey=NDTSRXAMMQDVSW-UHFFFAOYSA-N" . "InChIKey=YCDHZDINQZLSRR-BJKOFHAPSA-N" . "5.55" . "InChIKey=XXMIOPMDWAUFGU-UHFFFAOYSA-N" . "C16H15N7S2" . "77.01" . "0" . "ALOGPS" . "296.177630012" . "ChemAxon" . "2" . "InChIKey=OOBHFESNSZDWIU-UHFFFAOYSA-N" . "1" . "2.17" . "InChI=1S/C7H10N2OS/c1-5(3-10)2-6-4-11-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)/t5-/m0/s1" .