"CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=N(=O)C1" . "0" . "InChIKey=VTEDVYGIJPLVFF-KZLJYQGOSA-N" . "ChemAxon" . "[H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1" . "3" . "320.776" . "InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3" . "ALOGPS" . "-1.6" . "16" . "55.38" . "192.52" . "-2.2" . "1.22" . "100.71" .