Mrv1652304272018382D 12 13 0 0 0 0 999 V2000 -1.6500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.1434 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 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7144 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 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7144 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 -1.6500 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 M END > CDB005617 > CDB > C=CC1=CC2=CC=CC=C2C=N1 > InChI=1S/C11H9N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h2-8H,1H2 > OJFXABGGUBLZIP-UHFFFAOYSA-N > C11H9N > 155.2 > 155.073499294 > 1 > 21 > 17.44249516866973 > 1 > 0 > 0 > 0 > 3-ethenylisoquinoline > 2.91 > 2.715413321666667 > -2.45 > 0 > 2 > 0 > 4.958868098112588 > 12.89 > 49.5905 > 1 > 1 > 5.49e-01 g/l > 3-ethenylisoquinoline > 1 > CDB005617 > 3-vinyl-2-azanaphthalene $$$$