19266 -OEChem-03092115043D 22 22 0 0 0 0 0 0 0999 V2000 -3.5764 -1.4918 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2221 -1.4811 -0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1173 0.7159 -0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3172 0.6961 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 0.4818 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8181 0.0542 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 1.5686 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 -0.8189 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3141 1.3548 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9437 -1.0327 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 -0.2601 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2552 -0.1689 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 0.3821 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4431 2.5876 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 -1.7088 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 2.2149 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2944 -2.0611 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 1.6726 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8329 0.9778 -0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4796 -0.3905 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8148 1.0254 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5475 -1.6315 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END > DB04500 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QCXJEYYXVJIFCE-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)NC1=CC=C(C=C1)C(O)=O > InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) > QCXJEYYXVJIFCE-UHFFFAOYSA-N > C9H9NO3 > 179.1727 > 179.058243159 > 3 > 22 > -0.9985531262404866 > 17.81276669275106 > 1 > 2 > 0 > 1 > 4-acetamidobenzoic acid > 0.8685390913333331 > 0 > -1 > 1 > -1 > 14.720799511002443 > 4.161065184374958 > -4.418829382441783 > 66.4 > 48.177200000000006 > 2 > 1 > disodium dexamethasone phosphate(2-) > 0 $$$$