Mrv1652304272019232D 10 10 0 0 0 0 999 V2000 -2.0625 -2.1435 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 0.4125 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 -0.4125 -0.7145 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 -1.4290 0.0000 N 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 -0.4125 -2.1435 0.0000 O 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 6 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 3 0 0 0 7 10 1 0 0 0 0 M END > FDB023115 > foodb > CN=C(O)C1=CN=CC=C1 > InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) > ZYVXHFWBYUDDBM-UHFFFAOYSA-N > C7H8N2O > 136.1512 > 136.063662888 > 2 > 18 > 13.865233788543083 > 1 > 1 > 0 > 0 > N-methylpyridine-3-carboxamide > 0.65 > -0.17011025099999968 > -1.70 > 0 > 1 > 0 > 13.749769804133646 > 3.6226282895542377 > 41.99 > 37.8762 > 1 > 1 > 2.70e+00 g/l > N'methylnicotinamide > 0 > FDB023115 > N-Methylnicotinamide $$$$