-OEChem-03091113232D 28 28 0 0 0 0 0 0 0999 V2000 -3.9005 5.2525 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2002 6.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8614 5.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9007 6.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5988 1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 3.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8995 3.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4647 1.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5986 0.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8776 1.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 1.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 -0.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 -0.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7339 3.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7335 2.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 0.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 0.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8776 -1.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 -1.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7654 3.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8993 2.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2009 7.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 M END > 0 > 0 > 104250600 > 1 > ChEMBL > CHEMBL1234443 > CHEBI:39076 CHEMBL1234443 > CHEMBL1234443 > https://www.ebi.ac.uk/chembldb > https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL1234443 > 70807 1 > 1 3 $$$$