Mrv1652304272018292D 11 12 0 0 0 0 999 V2000 1.6500 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 M END > CDB005526 > CDB > CC1=C2C=CN=CC2=CC=C1 > InChI=1S/C10H9N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-7H,1H3 > QHRZMGDJNNDMGZ-UHFFFAOYSA-N > C10H9N > 143.189 > 143.073499294 > 1 > 20 > 15.885296472342961 > 1 > 0 > 0 > 0 > 5-methylisoquinoline > 2.61 > 2.258471535 > -1.91 > 0 > 2 > 0 > 5.390491867501519 > 12.89 > 45.3925 > 0 > 1 > 1.76e+00 g/l > 5-methylisoquinoline > 1 > CDB005526 > 5-Methylisoquinoline $$$$