smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C/Cc1ccc(O)c(C(=O)c2c(O)cc(C(=O)[O-])cc2C=O)c1O ZINC000031168215 291387834 /nfs/dbraw/zinc/38/78/34/291387834.db2.gz MLSVKXQHUTYXHD-VIZOYTHASA-N -1 2 438.476 4.780 10 0 biogenic IJAELM