5859 -OEChem-10051722123D 35 35 0 0 0 0 0 0 0999 V2000 -3.5722 -0.2252 -0.6061 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0447 -0.4883 2.2069 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 -0.1039 0.3192 P 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 0.7979 -0.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2117 0.8907 -1.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7829 -1.5732 -1.1225 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7072 0.7249 -0.0279 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 -1.3741 -0.6868 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -0.1885 1.0611 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 0.0772 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 -0.9889 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 1.3857 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8857 0.5604 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4136 -0.7466 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 1.6279 -0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -1.1742 1.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 1.1425 1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 2.0743 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4024 -2.4186 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3106 -2.0156 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0513 2.2315 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0768 -1.6004 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3692 2.6484 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3178 -2.1518 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -1.3038 2.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -0.8361 2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2084 1.6002 1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7052 1.0352 2.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7924 1.8031 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7955 2.4577 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 2.1379 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0332 2.6807 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 -3.0127 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 -3.0624 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3568 -2.0087 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 13 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > DB11408 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JISACBWYRJHSMG-UHFFFAOYSA-N/SDF?record_type=3d > COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C > InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3 > JISACBWYRJHSMG-UHFFFAOYSA-N > C10H16NO5PS2 > 325.33 > 325.020751965 > 2 > 35 > 29.64980161297513 > 1 > 0 > 0 > 1 > O-4-(dimethylsulfamoyl)phenyl O,O-dimethyl phosphorothioate > 2.15 > 1.7149892793333332 > -3.15 > 0 > 1 > 0 > 65.07000000000001 > 77.8186 > 5 > 1 > 2.29e-01 g/l > famphur > 0 $$$$