12195517 -OEChem-10051721213D 28 30 0 0 0 0 0 0 0999 V2000 6.0731 -0.8176 0.0004 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2115 1.7919 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3591 -0.3175 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1294 1.8364 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 0.5083 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 0.1663 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 0.5351 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4524 -1.1735 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0278 1.1730 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8417 0.9495 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0238 -1.3238 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8071 -1.5057 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 0.8409 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7723 -0.4985 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1543 0.4773 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3364 -1.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4016 -0.8953 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7206 2.6675 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7195 -1.9769 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 2.2290 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 2.0257 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2155 -2.0509 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 -2.5482 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1347 1.6243 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9841 1.1782 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5295 -2.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4235 -1.2629 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 14 2 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 17 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > DB08470 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KMGPJKOKSYGMJD-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC=C(C=C1)C1=NN=C(N1)C1=CC=CC=C1 > InChI=1S/C14H10FN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18) > KMGPJKOKSYGMJD-UHFFFAOYSA-N > C14H10FN3 > 239.2477 > 239.08587554 > 2 > 28 > -0.0032953819203962956 > 24.691290784122117 > 1 > 1 > 0 > 1 > 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole > 3.32 > 3.086566567666666 > -3.38 > 0 > 0 > 3 > 0 > 9.478309634953758 > 2.2516059716711343 > 41.57 > 89.64860000000002 > 2 > 1 > 9.92e-02 g/l > tetrahydrofolic acid > 0 $$$$