4684 -OEChem-10051723013D 13 13 0 0 0 0 0 0 0999 V2000 -3.0707 0.0000 0.0005 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8008 0.0000 0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4398 0.0001 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7424 1.2080 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7425 -1.2080 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 -1.2080 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 -0.0001 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2802 2.1522 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 -2.1558 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 2.1568 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 -2.1568 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 -0.9202 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 M END > DB13154 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WXNZTHHGJRFXKQ-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC=C(Cl)C=C1 > InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H > WXNZTHHGJRFXKQ-UHFFFAOYSA-N > C6H5ClO > 128.556 > 128.002892489 > 1 > 13 > -0.010756392272271226 > 12.02429436826636 > 1 > 1 > 0 > 0 > 4-chlorophenol > 2.37 > 2.2737251706666664 > -0.96 > 0 > 0 > 1 > 0 > 8.963636620612126 > -6.261855903181934 > 20.23 > 32.8437 > 0 > 1 > 1.40e+01 g/l > tetrahydrofolic acid > 1 $$$$