Mrv1652304272018302D 12 13 0 0 0 0 999 V2000 -2.8875 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7144 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 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -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 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 -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 -0.4125 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 9 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > CDB005539 > CDB > CCC1=C2N=CC=CC2=CC=C1 > InChI=1S/C11H11N/c1-2-9-5-3-6-10-7-4-8-12-11(9)10/h3-8H,2H2,1H3 > WSNATRDCOFYLCB-UHFFFAOYSA-N > C11H11N > 157.216 > 157.089149358 > 1 > 23 > 17.945931158501363 > 1 > 0 > 0 > 0 > 8-ethylquinoline > 3.23 > 3.0888905256666668 > -2.34 > 0 > 2 > 0 > 4.527734664791925 > 12.89 > 49.621500000000005 > 1 > 1 > 7.18e-01 g/l > 8-ethylquinoline > 1 > CDB005539 > 8-Ethylquinoline $$$$