smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@H](c1ccc(OC)c2ccccc21)c1c([O-])cc(C)oc1=O ZINC000218025196 571352095 /nfs/dbraw/zinc/35/20/95/571352095.db2.gz KPHATRVHXADABG-MRXNPFEDSA-N -1 1 368.385 3.511 50 70 FHIAMM O=S(=O)([N-]CC1(c2ccsc2)CCCC1)c1cc(F)ccc1F ZINC000217483821 527211625 /nfs/dbraw/zinc/21/16/25/527211625.db2.gz XIZFOTWXISVZEP-UHFFFAOYSA-N -1 1 357.447 3.817 50 70 FHIAMM COC(=O)C[C@@H](c1ccc(OC)c2ccccc21)c1c([O-])cc(C)oc1=O ZINC000218025104 571189532 /nfs/dbraw/zinc/18/95/32/571189532.db2.gz KPHATRVHXADABG-INIZCTEOSA-N -1 1 368.385 3.511 50 70 FHIAMM