smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1oc2cc([O-])ccc2c(-c2ccccc2)c1-c1ccccc1[S-] ZINC000071405003 563934062 /nfs/dbraw/zinc/93/40/62/563934062.db2.gz XOHLSYYXOXCVRB-UHFFFAOYSA-N -2 3 346.407 4.879 40 10 EJCBHL