2776332 -OEChem-10051720593D 24 25 0 0 0 0 0 0 0999 V2000 -2.5001 -0.0053 1.4854 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5217 -0.0036 1.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3085 0.0004 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 0.0012 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7492 0.0002 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3878 1.2086 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 -1.2074 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 1.2090 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 -1.2070 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9669 0.0010 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 0.0036 -1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0115 0.0021 -0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 -0.0027 0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1396 2.1592 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 -2.1582 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 2.1571 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3119 -2.1550 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3215 -0.8809 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 0.8761 -0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 0.0073 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8928 0.0043 -1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9425 -0.0048 1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 0.8699 1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 -0.0255 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 M END > DB07259 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YKNLMMDEWQZCLJ-UHFFFAOYSA-N/SDF?record_type=3d > NCC1=CC=C(C=C1)C1=CC=CS1 > InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2 > YKNLMMDEWQZCLJ-UHFFFAOYSA-N > C11H11NS > 189.277 > 189.061220047 > 1 > 24 > 0.9941896699460057 > 21.267606694088876 > 1 > 1 > 0 > 1 > 1-[4-(thiophen-2-yl)phenyl]methanamine > 2.53 > 2.523387653666666 > -3.33 > 0 > 1 > 2 > 1 > 9.233268443267617 > 26.02 > 56.557500000000005 > 2 > 1 > 8.82e-02 g/l > biotin > 1 $$$$