smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH][n-]c2c1C[C@H]1C[C@@H]2Cc2c(=O)[nH][n-]c21 ZINC000217477936 384216466 /nfs/dbraw/zinc/21/64/66/384216466.db2.gz JCXUOPSZOYPQOC-JWXFUTCRSA-N -2 3 232.243 -0.380 40 70 BBIBHL