14357 -OEChem-10051721173D 24 25 0 0 0 0 0 0 0999 V2000 4.7254 -0.8901 0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7254 0.8904 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 1.3645 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 -1.3643 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2157 0.6738 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2156 -0.6741 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.9546 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5917 -0.9547 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 -1.7015 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7417 1.7013 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -0.0787 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 0.0787 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -1.4042 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 1.4043 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9505 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9505 -0.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 1.9910 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9255 -1.9911 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4328 -2.7448 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4325 2.7446 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 -2.2391 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8002 2.2391 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -0.6718 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6818 0.6720 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 M END > DB08262 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RXOHFPCZGPKIRD-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O > InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16) > RXOHFPCZGPKIRD-UHFFFAOYSA-N > C12H8O4 > 216.1895 > 216.042258744 > 4 > 24 > -1.9985379196456754 > 21.244918890243657 > 1 > 2 > 0 > 1 > naphthalene-2,6-dicarboxylic acid > 2.17 > 2.2778883886666663 > -3.35 > 0 > -2 > 2 > -2 > 4.29101008011228 > 3.686706032842609 > 74.6 > 57.02060000000001 > 2 > 1 > 9.60e-02 g/l > biotin > 0 $$$$