657237 -OEChem-02182022423D 32 34 0 1 0 0 0 0 0999 V2000 -1.7830 3.0489 -0.3767 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 0.1067 1.0566 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3959 -0.4780 -1.9029 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2549 -1.4068 0.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2698 2.8277 0.8928 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -1.2726 0.3523 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1246 -2.2411 0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 1.0375 -0.0207 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1888 1.2553 -0.2219 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6653 -0.6211 -0.0621 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -1.2001 -0.8918 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3398 -1.1409 0.4372 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3731 -0.4771 -0.5469 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9345 0.5710 0.4779 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6782 1.9411 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 -0.2692 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 -2.4379 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2584 -0.8899 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 -0.0757 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 1.7223 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 -2.2325 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6923 -1.9322 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 -0.0447 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6506 0.6644 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8791 1.9089 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5872 2.3364 -0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 -0.4994 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0571 -0.9196 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 -3.3938 0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 3.6944 0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8032 -1.6141 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4569 -0.0087 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 27 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 15 1 0 0 0 0 5 30 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 19 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 M END > DB01073 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HBUBKKRHXORPQB-FJFJXFQQSA-N/SDF?record_type=3d > NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O > InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1 > HBUBKKRHXORPQB-FJFJXFQQSA-N > C10H12FN5O4 > 285.235 > 285.087332049 > 8 > 32 > -3.189252581956708e-06 > 25.33127796656409 > 1 > 4 > 0 > 0 > (2R,3S,4S,5R)-2-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol > -0.62 > -1.4700027740000001 > -1.37 > 0 > 0 > 3 > 0 > 13.891147806860378 > 12.453999252809727 > 0.7635475353412526 > 139.54 > 64.0592 > 2 > 1 > 1.21e+01 g/l > abacavir > 0 $$$$