Mrv1909 09212115382D 43 42 0 0 0 0 999 V2000 -0.1147 -3.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 1.5091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7227 1.0809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9941 1.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 2.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 2.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1877 2.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9527 2.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6841 2.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2078 3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0371 3.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7821 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 0.3518 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 1.5091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7227 1.0809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9941 1.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 2.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 2.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1877 2.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9527 2.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6841 2.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2078 3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0371 3.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7821 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 0.3518 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 10 2 1 0 0 0 0 2 11 1 1 0 0 0 2 16 1 6 0 0 0 3 4 1 6 0 0 0 7 3 1 0 0 0 0 5 4 1 0 0 0 0 6 4 1 0 0 0 0 8 7 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 17 16 2 0 0 0 0 21 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 20 19 1 0 0 0 0 20 21 2 0 0 0 0 24 23 1 0 0 0 0 31 23 1 0 0 0 0 23 32 1 1 0 0 0 23 37 1 6 0 0 0 24 25 1 6 0 0 0 28 24 1 0 0 0 0 26 25 1 0 0 0 0 27 25 1 0 0 0 0 29 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 33 32 2 0 0 0 0 34 32 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 38 37 2 0 0 0 0 42 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 2 0 0 0 0 41 40 1 0 0 0 0 41 42 2 0 0 0 0 M STY 2 1 SRU 2 SRU M SAL 1 15 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 M SAL 1 5 17 18 19 20 21 M SDI 1 4 -4.7321 -0.5888 -4.7321 3.9531 M SDI 1 4 0.1430 3.9531 0.1430 -0.5888 M SMT 1 2 M SAL 2 1 22 M SDI 2 4 3.9071 -0.0607 3.9071 0.7643 M SDI 2 4 4.7321 0.7643 4.7321 -0.0607 M SMT 2 2 M END > DBSALT003195 > drugbank > O.Cl.Cl.CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C1=CC=CC=C1.CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C1=CC=CC=C1 > InChI=1S/2C17H23NO2.2ClH.H2O/c2*1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;;;/h2*5-8,10-12,15H,4,9,13H2,1-3H3;2*1H;1H2/t2*15-,17+;;;/m11.../s1 > WHYVWQHDUOALSV-UMJMSJQKSA-N > C51H74Cl3N3O7 > 947.52 > 945.4592348 > 138 > 0 > 0 > 3.16 > -3.18 > 0 > 1.81e-01 g/l > sulbenicillin > DBSALT003195 > Tilidine hydrochloride hemihydrate > DB13787 > Tilidine > 255733-17-6 > Y757T3419R $$$$