smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([O-])c2c3c1C(=O)C=C1C(C)(C)C(=O)c4c([O-])cc([O-])c(c4[C@]31O)C2=O ZINC000003643921 206249481 /nfs/dbraw/zinc/24/94/81/206249481.db2.gz FRXZTKQCZPGFDX-JOCHJYFZSA-N -3 0 392.363 2.237 10 30 in-vitro GEEERL Cc1cc([O-])c2c3c1C(=O)C=C1C(C)(C)C(=O)c4c([O-])cc([O-])c(c4[C@@]31O)C2=O ZINC000003643919 560189165 /nfs/dbraw/zinc/18/91/65/560189165.db2.gz FRXZTKQCZPGFDX-QFIPXVFZSA-N -3 0 392.363 2.237 10 30 in-vitro GEEERL