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)c1[O-] ZINC000031168215 291387832 /nfs/dbraw/zinc/38/78/32/291387832.db2.gz MLSVKXQHUTYXHD-VIZOYTHASA-N -3 0 438.476 4.780 10 0 biogenic IJAERL Cc1ccc(Sc2ccc(S(=O)(=O)c3ccc(C(=O)[O-])c(C(=O)[O-])c3)cc2)cc1C ZINC000048522793 569257904 /nfs/dbraw/zinc/25/79/04/569257904.db2.gz LZWKYWNFDIKDQN-UHFFFAOYSA-N -2 0 442.514 4.684 10 0 IJAERL