smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCCCCC/C(C(=O)O)=C(\C)C(=O)[O-] ZINC000095596911 185015367 /nfs/dbraw/zinc/01/53/67/185015367.db2.gz GXVRICINRLHMKJ-QXMHVHEDSA-N -1 2 254.326 3.389 1 30 CGEFLM