2871 -OEChem-10051722113D 38 39 0 0 0 0 0 0 0999 V2000 5.9992 0.3437 0.1474 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7165 0.3480 2.3717 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9682 0.1398 0.4489 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.9962 -0.9221 -0.3085 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1504 1.3821 0.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 -0.3794 -0.0239 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7986 1.4689 -0.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0964 2.5366 0.3604 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -1.0361 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 0.1591 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 -1.0063 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -0.9566 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 0.2167 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -2.2078 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -2.1682 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2736 0.1808 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -2.3220 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 1.4588 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8549 -1.6974 0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5037 2.6525 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2472 -1.9183 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1695 3.7272 -1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 1.1818 0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9133 -3.1781 -0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 -3.0915 -0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0944 -3.0109 0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4756 -2.2342 -0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 -2.7833 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8584 -1.8324 1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1589 -2.4161 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2106 2.9897 0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5785 2.4465 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2593 -1.7728 -1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6010 -2.9284 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9499 -1.1946 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 3.4036 -2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0926 3.9254 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6979 4.6571 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 8 18 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END > DB11390 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BXNANOICGRISHX-UHFFFAOYSA-N/SDF?record_type=3d > CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 > InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3 > BXNANOICGRISHX-UHFFFAOYSA-N > C14H16ClO5PS > 362.766 > 362.014458531 > 1 > 38 > 0.0 > 34.607097180215796 > 1 > 0 > 0 > 1 > O-3-chloro-4-methyl-2-oxo-2H-chromen-7-yl O,O-diethyl phosphorothioate > 4.50 > 4.1455163420000005 > -5.39 > 0 > 0 > 2 > 0 > -7.337543274952751 > 53.99000000000001 > 89.92840000000002 > 6 > 1 > 1.48e-03 g/l > tetrahydrofolic acid > 0 $$$$