smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[C@@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000002145741 539346193 /nfs/dbraw/zinc/34/61/93/539346193.db2.gz PQWSQJPHBKAWTP-NAIAOIPJSA-N -1 2 353.418 2.431 40 30 FEEBLM