Mrv1652304272018372D 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 1 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 > CDB005609 > CDB > CCC1=CC2=CC=CC=C2C=N1 > InChI=1S/C11H11N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-8H,2H2,1H3 > CWXOIKGMLUJEAN-UHFFFAOYSA-N > C11H11N > 157.216 > 157.089149358 > 1 > 23 > 18.131940677075825 > 1 > 0 > 0 > 0 > 3-ethylisoquinoline > 3.13 > 2.5769561616666667 > -2.32 > 0 > 2 > 0 > 5.749993269170772 > 12.89 > 49.569700000000005 > 1 > 1 > 7.47e-01 g/l > 3-ethylisoquinoline > 1 > CDB005609 > 3-ethyl-2-azanaphthalene $$$$