smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cc([O-])ccc2C(c2ccccc2)=C1c1ccccc1 ZINC000028761712 171573231 /nfs/dbraw/zinc/57/32/31/171573231.db2.gz PSIWCAPXPBELTO-UHFFFAOYSA-N -1 1 298.341 4.548 1 30 CJEFMM