598 -OEChem-10051722023D 13 12 0 0 0 0 0 0 0999 V2000 -1.0534 0.1021 0.0185 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -0.2487 0.0009 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8861 -1.2779 -0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2231 0.9647 -1.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 0.5727 1.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5677 -0.5985 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 0.4856 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 -1.2731 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6399 -1.1826 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 1.1023 0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 1.1485 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8315 -1.6483 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 -0.8527 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M END > DB09110 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZNEWHQLOPFWXOF-UHFFFAOYSA-N/SDF?record_type=3d > OS(=O)(=O)CCS > InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5) > ZNEWHQLOPFWXOF-UHFFFAOYSA-N > C2H6O3S2 > 142.197 > 141.975835438 > 3 > 13 > -1.0007611598810136 > 12.536652175043322 > 1 > 2 > 0 > 0 > 2-sulfanylethane-1-sulfonic acid > -1.53 > -0.40282442733333357 > -1.05 > 0 > -1 > 0 > -1 > 10.11818943963675 > -1.1570374648504045 > 54.37 > 29.130200000000002 > 2 > 1 > 1.27e+01 g/l > tetrahydrofolic acid > 0 $$$$