"-0.13" . "37.38" . "68.02" . "-1" . "benzoctamine" . "-0.38" . "InChIKey=QCPYHSAHOYXXQK-DLBZAZTESA-N" . "0" . "68.99" . "ALOGPS" . "InChIKey=AQCHWTWZEMGIFD-UHFFFAOYSA-N" . "NC1=NC2=C(N3[C@@H](COC3=O)CN2)C(=O)N1" . "ChemAxon" . "COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(N)C=C1" . "1" . "-3.6" . "NC1=C2CCCCC2=NC2=CC=CC=C12" . "29.01" . "3-phenylbenzene-1,2-diol" . "InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5+,6-,7-,8+/m0/s1" .