65957 -OEChem-10051722343D 38 41 0 1 0 0 0 0 0999 V2000 -2.5894 2.7942 0.2412 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 -1.8470 -0.1236 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4468 2.4733 0.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 1.4109 0.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -0.4864 -0.6777 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 -0.1229 1.4568 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 -1.3632 -0.1152 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6244 0.1912 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2441 -0.5001 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5109 0.9567 -0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 0.4669 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 -0.5740 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1456 -0.3173 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7115 1.7859 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 -2.7239 -0.0490 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5762 1.0217 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8207 -2.7566 -0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3467 2.0687 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 -1.0681 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0324 1.3215 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4779 -3.1910 1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 0.1627 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4197 0.2968 -0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0589 -1.1941 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6368 -0.7517 -1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 1.6545 -1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5044 1.2348 -0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -1.0096 1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1267 -0.2455 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -3.4081 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 -2.5175 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2555 -3.7598 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 3.1044 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 -1.9573 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -2.5380 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -4.2065 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4755 -3.2002 1.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7596 1.5355 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 20 2 0 0 0 0 4 23 1 0 0 0 0 4 38 1 0 0 0 0 5 23 2 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 M END > DB11774 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XAGMUUZPGZWTRP-ZETCQYMHSA-N/SDF?record_type=3d > [H][C@]1(C)COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2C1(N)CC1 > InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1 > XAGMUUZPGZWTRP-ZETCQYMHSA-N > C16H15FN2O4 > 318.304 > 318.101585134 > 6 > 38 > 30.763427096528766 > 1 > 2 > 0 > 0 > (2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0⁵,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid > -0.51 > -1.0095917023648966 > -2.12 > 0 > 4 > 0 > 5.585554546935236 > 8.158173520156941 > 92.86 > 80.0314 > 2 > 1 > 2.41e+00 g/l > pazufloxacin > 0 $$$$