71655 -OEChem-12031918113D 25 25 0 0 0 0 0 0 0999 V2000 3.0374 -0.8958 -0.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 0.4602 0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 0.2840 0.7359 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 2.2182 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 -1.1652 0.1829 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 -0.5251 -1.5033 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 1.2064 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 -0.8322 1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 0.3093 -0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 -1.6406 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 1.0020 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3498 -0.4211 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3638 1.5210 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 2.1068 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 -1.4176 1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -0.6483 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 0.0584 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6785 0.8194 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -2.5650 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3665 -1.9162 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 2.4084 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7925 -1.1855 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9568 -1.7158 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -1.1019 -2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2661 -0.0365 -1.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 12 2 0 0 0 0 4 11 2 0 0 0 0 4 21 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 M END > DB13597 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KJHOZAZQWVKILO-UHFFFAOYSA-N/SDF?record_type=3d > NC(=N)NC(=N)N1CCOCC1 > InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10) > KJHOZAZQWVKILO-UHFFFAOYSA-N > C6H13N5O > 171.204 > 171.112010059 > 6 > 25 > 17.215772276412952 > 1 > 4 > 0 > 0 > N-(morpholine-4-carboximidoyl)guanidine > -1.51 > -1.1369297166666665 > -2.08 > 0 > 1 > 2 > 19.164134047166275 > 11.847864629761514 > 98.22 > 65.7172 > 0 > 1 > 1.41e+00 g/l > (2S)-2-amino-4-[(2-ethanimidamidoethyl)sulfanyl]butanoic acid > 0 $$$$