4410 -OEChem-10051722463D 47 50 0 1 0 0 0 0 0999 V2000 1.7089 2.8973 0.3434 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7862 -0.6324 -0.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2953 2.4223 0.2117 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5873 1.4101 -0.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9717 -0.6486 0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7411 0.3786 0.0432 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8448 -1.3681 -0.1965 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 -0.5128 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 -2.7495 -0.2213 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0453 -1.8939 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 -2.8210 -0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9209 -0.3040 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 0.5695 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 1.0697 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 0.1149 1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 0.3447 -1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7525 -0.6065 1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6172 0.1366 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3913 1.0197 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 1.8641 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 -3.3174 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2009 -1.0919 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5053 2.0943 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 1.2869 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7569 0.1186 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2165 0.2192 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 -3.3758 -0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9285 -1.8723 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 -2.2837 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1139 -2.5326 -1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4029 -3.8493 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 2.1022 -0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9611 1.1077 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 -0.5065 1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 1.0628 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -0.6287 -1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4515 0.9060 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2965 -0.7267 2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 -1.6246 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 1.1057 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 -4.3341 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -2.7047 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2887 -3.3603 1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8077 -1.9865 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 3.1124 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2571 -0.7417 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5625 1.5151 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 18 1 0 0 0 0 2 46 1 0 0 0 0 3 24 2 0 0 0 0 4 26 1 0 0 0 0 4 47 1 0 0 0 0 5 26 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 19 1 0 0 0 0 13 20 2 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 25 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > DB12447 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JYJTVFIEFKZWCJ-UHFFFAOYSA-N/SDF?record_type=3d > CC1CCC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCC(O)CC1 > InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26) > JYJTVFIEFKZWCJ-UHFFFAOYSA-N > C19H21FN2O4 > 360.385 > 360.148535327 > 6 > 47 > 36.52528392499897 > 1 > 2 > 0 > 1 > 7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.0⁵,¹³]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid > 0.87 > 1.8429430223333325 > -2.76 > 0 > 4 > -1 > 15.177857879200793 > 6.131530038213894 > 0.44412074352989206 > 81.08 > 96.02649999999996 > 2 > 1 > 6.32e-01 g/l > nadifloxacin > 0 $$$$