11473003 -OEChem-10051721083D 35 36 0 0 0 0 0 0 0999 V2000 0.3013 -1.8281 0.5973 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 0.7208 -0.0283 P 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -1.4710 1.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3064 -3.2322 0.2085 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 0.3781 0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4213 2.3364 -0.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6346 0.2857 -1.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3192 0.0952 0.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3905 -0.9794 -0.4098 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -1.1533 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 0.5232 0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7384 -0.0312 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7239 -0.0684 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.4852 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9753 -1.7351 -0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2084 -1.1973 -1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 0.9350 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4931 1.6523 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9635 0.4862 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7264 2.1899 0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4602 1.6080 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 0.4264 1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6153 -1.3873 -1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2745 0.8090 0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 0.9331 -0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6047 -2.6045 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -1.6673 -2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9331 2.0271 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 0.6070 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 2.1239 1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5541 0.0478 -1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1136 3.0633 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4202 2.0271 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2886 2.7900 -0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5473 0.3105 -1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 5 17 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 9 14 1 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 M END > DB07732 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FCROUVVWZFPGFM-UHFFFAOYSA-N/SDF?record_type=3d > OP(O)(=O)OCCNS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 > InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16) > FCROUVVWZFPGFM-UHFFFAOYSA-N > C12H14NO6PS > 331.281 > 331.027944387 > 5 > 35 > -1.8572651104164448 > 29.838034335568878 > 1 > 3 > 0 > 1 > [2-(naphthalene-2-sulfonamido)ethoxy]phosphonic acid > 0.46 > 0.9787613646666662 > -2.39 > 0 > -2 > 2 > -2 > 6.52538557429733 > 1.500978118798573 > 112.93 > 76.72800000000002 > 5 > 1 > 1.35e+00 g/l > tetrahydrofolic acid > 0 $$$$